9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine

C198H134N12O2S2 — CID 158471436

IUPAC9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccc(N(c4ccc5c6cc(N(c7ccccc7)c7cccc8ccccc78)ccc6n(-c6ccccc6)c5c4)c4cccc5ccccc45)cc23)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4ccc5c6cc(N(c7ccccc7)c7ccccc7)ccc6n(-c6ccccc6)c5c4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc5c6cc(N(c7ccccc7)c7ccccc7)ccc6n(-c6cccc7c6sc6ccccc67)c5c4)cc23)cc1
InChIInChI=1S/C72H48N4O.C66H44N4S2.C60H42N4O/c1-4-25-52(26-5-1)73(66-34-16-22-49-19-10-13-31-59(49)66)55-39-43-69-64(45-55)62-41-37-57(47-70(62)76(69)54-29-8-3-9-30-54)75(68-36-18-24-51-21-12-15-33-61(51)68)56-40-44-71-65(46-56)63-42-38-58(48-72(63)77-71)74(53-27-6-2-7-28-53)67-35-17-23-50-20-11-14-32-60(50)67;1-6-19-45(20-7-1)67(46-21-8-2-9-22-46)50-35-39-60-58(41-50)54-37-33-52(43-62(54)70(60)61-31-18-30-57-55-29-16-17-32-63(55)72-66(57)61)69(49-27-14-5-15-28-49)51-36-40-64-59(42-51)56-38-34-53(44-65(56)71-64)68(47-23-10-3-11-24-47)48-25-12-4-13-26-48;1-7-19-43(20-8-1)61(44-21-9-2-10-22-44)49-33-37-57-55(39-49)53-35-31-51(41-58(53)64(57)48-29-17-6-18-30-48)63(47-27-15-5-16-28-47)50-34-38-59-56(40-50)54-36-32-52(42-60(54)65-59)62(45-23-11-3-12-24-45)46-25-13-4-14-26-46/h1-48H;1-44H;1-42H
InChIKeyHGJXKEAULSICRQ-UHFFFAOYSA-N
MW2777.47 g/mol
LogP57.57
Rot. Bonds30

About 9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine

9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine (PubChem CID 158471436) has the molecular formula C198H134N12O2S2 and a molecular weight of 2777.47 g/mol. Its IUPAC name is 9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine.

Molecular Properties

Compound Name9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine
PubChem CID158471436
Molecular FormulaC198H134N12O2S2
Molecular Weight2777.47 g/mol
Exact Mass2775.02
IUPAC Name9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccc(N(c4ccc5c6cc(N(c7ccccc7)c7cccc8ccccc78)ccc6n(-c6ccccc6)c5c4)c4cccc5ccccc45)cc23)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4ccc5c6cc(N(c7ccccc7)c7ccccc7)ccc6n(-c6ccccc6)c5c4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc5c6cc(N(c7ccccc7)c7ccccc7)ccc6n(-c6cccc7c6sc6ccccc67)c5c4)cc23)cc1
InChIInChI=1S/C72H48N4O.C66H44N4S2.C60H42N4O/c1-4-25-52(26-5-1)73(66-34-16-22-49-19-10-13-31-59(49)66)55-39-43-69-64(45-55)62-41-37-57(47-70(62)76(69)54-29-8-3-9-30-54)75(68-36-18-24-51-21-12-15-33-61(51)68)56-40-44-71-65(46-56)63-42-38-58(48-72(63)77-71)74(53-27-6-2-7-28-53)67-35-17-23-50-20-11-14-32-60(50)67;1-6-19-45(20-7-1)67(46-21-8-2-9-22-46)50-35-39-60-58(41-50)54-37-33-52(43-62(54)70(60)61-31-18-30-57-55-29-16-17-32-63(55)72-66(57)61)69(49-27-14-5-15-28-49)51-36-40-64-59(42-51)56-38-34-53(44-65(56)71-64)68(47-23-10-3-11-24-47)48-25-12-4-13-26-48;1-7-19-43(20-8-1)61(44-21-9-2-10-22-44)49-33-37-57-55(39-49)53-35-31-51(41-58(53)64(57)48-29-17-6-18-30-48)63(47-27-15-5-16-28-47)50-34-38-59-56(40-50)54-36-32-52(42-60(54)65-59)62(45-23-11-3-12-24-45)46-25-13-4-14-26-46/h1-48H;1-44H;1-42H
InChIKeyHGJXKEAULSICRQ-UHFFFAOYSA-N
XLogP57.57
TPSA70.23 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002777.47
LogP ≤ 557.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine with MolForge

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Related Compounds

2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine
CID 158809298
8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine
CID 161307551
6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
CID 129194367
N-dibenzofuran-2-yl-8-(3,5-dichlorophenyl)-N-phenyldibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[8-(3,5-dichlorophenyl)dibenzothiophen-4-yl]-9-phenylcarbazol-2-amine;N-dibenzothiophen-2-yl-8-(3,5-dichlorophenyl)-N-phenyldibenzofuran-3-amine;N,N-di(dibenzothiophen-2-yl)-8-(3,5-dichlorophenyl)dibenzothiophen-3-amine
CID 161347144
N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine
CID 126621564
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 162244796
N-naphthalen-1-yl-8-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]naphthalen-1-amine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-(N-(6-phenyldibenzofuran-3-yl)anilino)phenyl]benzene-1,3-diamine
CID 158069740
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163713073
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159292400
9-dibenzothiophen-4-yl-2-N-[7-(N-(3-methylphenyl)anilino)dibenzothiophen-2-yl]-2-N,6-N,6-N-triphenylcarbazole-2,6-diamine
CID 129194378
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 163654631
7-N-naphtho[1,2-b][1]benzothiol-4-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 170410120

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine?
The IUPAC name of 9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine (CID 158471436) is 9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine.
What is the SMILES notation for 9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine?
The canonical SMILES for 9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine is c1ccc(N(c2ccc3c(c2)oc2ccc(N(c4ccc5c6cc(N(c7ccccc7)c7cccc8ccccc78)ccc6n(-c6ccccc6)c5c4)c4cccc5ccccc45)cc23)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4ccc5c6cc(N(c7ccccc7)c7ccccc7)ccc6n(-c6ccccc6)c5c4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc5c6cc(N(c7ccccc7)c7ccccc7)ccc6n(-c6cccc7c6sc6ccccc67)c5c4)cc23)cc1.
What is the InChIKey of 9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine?
The InChIKey is HGJXKEAULSICRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4O.C66H44N4S2.C60H42N4O/c1-4-25-52(26-5-1)73(66-34-16-22-49-19-10-13-31-59(49)66)55-39-43-69-64(45-55)62-41-37-57(47-70(62)76(69)54-29-8-3-9-30-54)75(68-36-18-24-51-21-12-15-33-61(51)68)56-40-44-71-65(46-56)63-42-38-58(48-72(63)77-71)74(53-27-6-2-7-28-53)67-35-17-23-50-20-11-14-32-60(50)67;1-6-19-45(20-7-1)67(46-21-8-2-9-22-46)50-35-39-60-58(41-50)54-37-33-52(43-62(54)70(60)61-31-18-30-57-55-29-16-17-32-63(55)72-66(57)61)69(49-27-14-5-15-28-49)51-36-40-64-59(42-51)56-38-34-53(44-65(56)71-64)68(47-23-10-3-11-24-47)48-25-12-4-13-26-48;1-7-19-43(20-8-1)61(44-21-9-2-10-22-44)49-33-37-57-55(39-49)53-35-31-51(41-58(53)64(57)48-29-17-6-18-30-48)63(47-27-15-5-16-28-47)50-34-38-59-56(40-50)54-36-32-52(42-60(54)65-59)62(45-23-11-3-12-24-45)46-25-13-4-14-26-46/h1-48H;1-44H;1-42H.
What are the key properties of 9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine?
9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine has a molecular weight of 2777.47 g/mol, XLogP of 57.57, 30 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine is sourced from PubChem (CID 158471436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).