N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline

C379H248N12S4 — CID 157462715

IUPACN-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3-c3ccc4c5ccccc5n(-c5cccc6c5sc5ccccc56)c4c3)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc3ccccc3c2)c2cccc3ccccc23)c(-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c2)c1.c1ccc(-c2ccccc2N(c2cccc3ccccc23)c2cccc3ccccc23)c(-c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)c1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4-c4ccccc4-c4ccc5c6ccccc6n(-c6cccc7sc8ccccc8c67)c5c4)c4cccc5ccccc45)cc32)cc1.c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2cc3c(c4ccccc24)c2cc4ccccc4cc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2cc3c(c4ccccc24)c2ccc4ccccc4c2n3-c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C71H46N2S.2C69H46N2.C58H38N2S.2C56H36N2S/c1-3-23-49(24-4-1)71(50-25-5-2-6-26-50)61-34-15-11-30-55(61)56-44-42-51(46-62(56)71)72(63-37-19-22-47-21-7-8-28-53(47)63)64-35-16-12-31-57(64)54-29-10-9-27-52(54)48-41-43-59-58-32-13-17-36-65(58)73(67(59)45-48)66-38-20-40-69-70(66)60-33-14-18-39-68(60)74-69;1-5-25-49(26-6-1)69(50-27-7-2-8-28-50)63-39-21-19-36-57(63)58-42-41-53(45-64(58)69)71-66-44-48-24-14-13-23-47(48)43-62(66)68-60-38-18-17-35-56(60)61(46-67(68)71)55-34-16-15-33-54(55)59-37-20-22-40-65(59)70(51-29-9-3-10-30-51)52-31-11-4-12-32-52;1-5-24-48(25-6-1)69(49-26-7-2-8-27-49)63-39-21-19-36-57(63)62-45-52(42-44-64(62)69)71-66-46-61(56-35-17-18-38-59(56)67(66)60-43-41-47-23-13-14-32-53(47)68(60)71)55-34-16-15-33-54(55)58-37-20-22-40-65(58)70(50-28-9-3-10-29-50)51-30-11-4-12-31-51;1-2-16-39(17-3-1)40-32-35-43(36-33-40)59(52-29-14-19-41-18-4-5-21-45(41)52)53-27-11-8-23-47(53)46-22-7-6-20-44(46)42-34-37-49-48-24-9-12-28-54(48)60(56(49)38-42)55-30-15-26-51-50-25-10-13-31-57(50)61-58(51)55;1-3-20-42-37(15-1)17-13-28-50(42)58(51-29-14-18-38-16-2-4-21-43(38)51)53-27-11-7-23-45(53)44-22-6-5-19-41(44)39-31-33-47-46-24-8-10-26-52(46)57(54(47)35-39)40-32-34-56-49(36-40)48-25-9-12-30-55(48)59-56;1-2-16-39-34-41(30-28-37(39)14-1)57(51-26-13-17-38-15-3-4-19-44(38)51)52-24-10-7-21-46(52)45-20-6-5-18-43(45)40-29-32-48-47-22-8-11-25-53(47)58(54(48)35-40)42-31-33-50-49-23-9-12-27-55(49)59-56(50)36-42/h1-46H;2*1-46H;1-38H;2*1-36H
InChIKeyBUCRVFVSJLTFRE-UHFFFAOYSA-N
MW5098.50 g/mol
LogP105.28
Rot. Bonds43

About N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline

N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline (PubChem CID 157462715) has the molecular formula C379H248N12S4 and a molecular weight of 5098.50 g/mol. Its IUPAC name is N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound NameN-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline
PubChem CID157462715
Molecular FormulaC379H248N12S4
Molecular Weight5098.50 g/mol
Exact Mass5093.87
IUPAC NameN-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3-c3ccc4c5ccccc5n(-c5cccc6c5sc5ccccc56)c4c3)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc3ccccc3c2)c2cccc3ccccc23)c(-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c2)c1.c1ccc(-c2ccccc2N(c2cccc3ccccc23)c2cccc3ccccc23)c(-c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)c1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4-c4ccccc4-c4ccc5c6ccccc6n(-c6cccc7sc8ccccc8c67)c5c4)c4cccc5ccccc45)cc32)cc1.c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2cc3c(c4ccccc24)c2cc4ccccc4cc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2cc3c(c4ccccc24)c2ccc4ccccc4c2n3-c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C71H46N2S.2C69H46N2.C58H38N2S.2C56H36N2S/c1-3-23-49(24-4-1)71(50-25-5-2-6-26-50)61-34-15-11-30-55(61)56-44-42-51(46-62(56)71)72(63-37-19-22-47-21-7-8-28-53(47)63)64-35-16-12-31-57(64)54-29-10-9-27-52(54)48-41-43-59-58-32-13-17-36-65(58)73(67(59)45-48)66-38-20-40-69-70(66)60-33-14-18-39-68(60)74-69;1-5-25-49(26-6-1)69(50-27-7-2-8-28-50)63-39-21-19-36-57(63)58-42-41-53(45-64(58)69)71-66-44-48-24-14-13-23-47(48)43-62(66)68-60-38-18-17-35-56(60)61(46-67(68)71)55-34-16-15-33-54(55)59-37-20-22-40-65(59)70(51-29-9-3-10-30-51)52-31-11-4-12-32-52;1-5-24-48(25-6-1)69(49-26-7-2-8-27-49)63-39-21-19-36-57(63)62-45-52(42-44-64(62)69)71-66-46-61(56-35-17-18-38-59(56)67(66)60-43-41-47-23-13-14-32-53(47)68(60)71)55-34-16-15-33-54(55)58-37-20-22-40-65(58)70(50-28-9-3-10-29-50)51-30-11-4-12-31-51;1-2-16-39(17-3-1)40-32-35-43(36-33-40)59(52-29-14-19-41-18-4-5-21-45(41)52)53-27-11-8-23-47(53)46-22-7-6-20-44(46)42-34-37-49-48-24-9-12-28-54(48)60(56(49)38-42)55-30-15-26-51-50-25-10-13-31-57(50)61-58(51)55;1-3-20-42-37(15-1)17-13-28-50(42)58(51-29-14-18-38-16-2-4-21-43(38)51)53-27-11-7-23-45(53)44-22-6-5-19-41(44)39-31-33-47-46-24-8-10-26-52(46)57(54(47)35-39)40-32-34-56-49(36-40)48-25-9-12-30-55(48)59-56;1-2-16-39-34-41(30-28-37(39)14-1)57(51-26-13-17-38-15-3-4-19-44(38)51)52-24-10-7-21-46(52)45-20-6-5-18-43(45)40-29-32-48-47-22-8-11-25-53(47)58(54(48)35-40)42-31-33-50-49-23-9-12-27-55(49)59-56(50)36-42/h1-46H;2*1-46H;1-38H;2*1-36H
InChIKeyBUCRVFVSJLTFRE-UHFFFAOYSA-N
XLogP105.28
TPSA49.02 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds43
Heavy Atoms395
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005098.50
LogP ≤ 5105.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline?
The IUPAC name of N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline (CID 157462715) is N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3-c3ccc4c5ccccc5n(-c5cccc6c5sc5ccccc56)c4c3)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc3ccccc3c2)c2cccc3ccccc23)c(-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c2)c1.c1ccc(-c2ccccc2N(c2cccc3ccccc23)c2cccc3ccccc23)c(-c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)c1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4-c4ccccc4-c4ccc5c6ccccc6n(-c6cccc7sc8ccccc8c67)c5c4)c4cccc5ccccc45)cc32)cc1.c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2cc3c(c4ccccc24)c2cc4ccccc4cc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2cc3c(c4ccccc24)c2ccc4ccccc4c2n3-c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline?
The InChIKey is BUCRVFVSJLTFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N2S.2C69H46N2.C58H38N2S.2C56H36N2S/c1-3-23-49(24-4-1)71(50-25-5-2-6-26-50)61-34-15-11-30-55(61)56-44-42-51(46-62(56)71)72(63-37-19-22-47-21-7-8-28-53(47)63)64-35-16-12-31-57(64)54-29-10-9-27-52(54)48-41-43-59-58-32-13-17-36-65(58)73(67(59)45-48)66-38-20-40-69-70(66)60-33-14-18-39-68(60)74-69;1-5-25-49(26-6-1)69(50-27-7-2-8-28-50)63-39-21-19-36-57(63)58-42-41-53(45-64(58)69)71-66-44-48-24-14-13-23-47(48)43-62(66)68-60-38-18-17-35-56(60)61(46-67(68)71)55-34-16-15-33-54(55)59-37-20-22-40-65(59)70(51-29-9-3-10-30-51)52-31-11-4-12-32-52;1-5-24-48(25-6-1)69(49-26-7-2-8-27-49)63-39-21-19-36-57(63)62-45-52(42-44-64(62)69)71-66-46-61(56-35-17-18-38-59(56)67(66)60-43-41-47-23-13-14-32-53(47)68(60)71)55-34-16-15-33-54(55)58-37-20-22-40-65(58)70(50-28-9-3-10-29-50)51-30-11-4-12-31-51;1-2-16-39(17-3-1)40-32-35-43(36-33-40)59(52-29-14-19-41-18-4-5-21-45(41)52)53-27-11-8-23-47(53)46-22-7-6-20-44(46)42-34-37-49-48-24-9-12-28-54(48)60(56(49)38-42)55-30-15-26-51-50-25-10-13-31-57(50)61-58(51)55;1-3-20-42-37(15-1)17-13-28-50(42)58(51-29-14-18-38-16-2-4-21-43(38)51)53-27-11-7-23-45(53)44-22-6-5-19-41(44)39-31-33-47-46-24-8-10-26-52(46)57(54(47)35-39)40-32-34-56-49(36-40)48-25-9-12-30-55(48)59-56;1-2-16-39-34-41(30-28-37(39)14-1)57(51-26-13-17-38-15-3-4-19-44(38)51)52-24-10-7-21-46(52)45-20-6-5-18-43(45)40-29-32-48-47-22-8-11-25-53(47)58(54(48)35-40)42-31-33-50-49-23-9-12-27-55(49)59-56(50)36-42/h1-46H;2*1-46H;1-38H;2*1-36H.
What are the key properties of N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline?
N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline has a molecular weight of 5098.50 g/mol, XLogP of 105.28, 43 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[2-[2-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 157462715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).