1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine

C234H145N11S9 — CID 159867112

IUPAC1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)cc(N(c4cccc(-c5ccccc5)c4)c4ccc5sc6ccccc6c5c4)c3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccc(-c4cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)c4)cc3c3c4sc5ccccc5c4ccc32)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)c3c5sc6ccccc6c5ccc3n4-c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C78H51N5S.C78H45N3S5.C78H49N3S3/c1-6-22-54(23-7-1)79(59-39-43-72-67(50-59)63-32-16-19-35-70(63)81(72)56-26-10-3-11-27-56)61-46-53(52-38-42-74-69(48-52)77-75(83(74)58-30-14-5-15-31-58)45-41-66-65-34-18-21-37-76(65)84-78(66)77)47-62(49-61)80(55-24-8-2-9-25-55)60-40-44-73-68(51-60)64-33-17-20-36-71(64)82(73)57-28-12-4-13-29-57;1-2-14-48(15-3-1)81-66-32-26-46(40-65(66)77-67(81)33-31-60-55-16-4-13-25-72(55)86-78(60)77)47-38-53(79(49-27-34-73-61(42-49)56-17-5-9-21-68(56)82-73)50-28-35-74-62(43-50)57-18-6-10-22-69(57)83-74)41-54(39-47)80(51-29-36-75-63(44-51)58-19-7-11-23-70(58)84-75)52-30-37-76-64(45-52)59-20-8-12-24-71(59)85-76;1-4-17-50(18-5-1)52-31-34-57(35-32-52)79(59-36-41-75-67(48-59)64-26-11-13-28-72(64)82-75)61-44-55(54-33-39-70-69(46-54)77-71(81(70)56-22-8-3-9-23-56)40-38-66-63-25-10-15-30-74(63)84-78(66)77)45-62(47-61)80(58-24-16-21-53(43-58)51-19-6-2-7-20-51)60-37-42-76-68(49-60)65-27-12-14-29-73(65)83-76/h1-51H;1-45H;1-49H
InChIKeyNRWGQXJJKCKZKF-UHFFFAOYSA-N
MW3399.41 g/mol
LogP71.01
Rot. Bonds28

About 1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine

1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine (PubChem CID 159867112) has the molecular formula C234H145N11S9 and a molecular weight of 3399.41 g/mol. Its IUPAC name is 1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine
PubChem CID159867112
Molecular FormulaC234H145N11S9
Molecular Weight3399.41 g/mol
Exact Mass3395.92
IUPAC Name1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)cc(N(c4cccc(-c5ccccc5)c4)c4ccc5sc6ccccc6c5c4)c3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccc(-c4cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)c4)cc3c3c4sc5ccccc5c4ccc32)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)c3c5sc6ccccc6c5ccc3n4-c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C78H51N5S.C78H45N3S5.C78H49N3S3/c1-6-22-54(23-7-1)79(59-39-43-72-67(50-59)63-32-16-19-35-70(63)81(72)56-26-10-3-11-27-56)61-46-53(52-38-42-74-69(48-52)77-75(83(74)58-30-14-5-15-31-58)45-41-66-65-34-18-21-37-76(65)84-78(66)77)47-62(49-61)80(55-24-8-2-9-25-55)60-40-44-73-68(51-60)64-33-17-20-36-71(64)82(73)57-28-12-4-13-29-57;1-2-14-48(15-3-1)81-66-32-26-46(40-65(66)77-67(81)33-31-60-55-16-4-13-25-72(55)86-78(60)77)47-38-53(79(49-27-34-73-61(42-49)56-17-5-9-21-68(56)82-73)50-28-35-74-62(43-50)57-18-6-10-22-69(57)83-74)41-54(39-47)80(51-29-36-75-63(44-51)58-19-7-11-23-70(58)84-75)52-30-37-76-64(45-52)59-20-8-12-24-71(59)85-76;1-4-17-50(18-5-1)52-31-34-57(35-32-52)79(59-36-41-75-67(48-59)64-26-11-13-28-72(64)82-75)61-44-55(54-33-39-70-69(46-54)77-71(81(70)56-22-8-3-9-23-56)40-38-66-63-25-10-15-30-74(63)84-78(66)77)45-62(47-61)80(58-24-16-21-53(43-58)51-19-6-2-7-20-51)60-37-42-76-68(49-60)65-27-12-14-29-73(65)83-76/h1-51H;1-45H;1-49H
InChIKeyNRWGQXJJKCKZKF-UHFFFAOYSA-N
XLogP71.01
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003399.41
LogP ≤ 571.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine with MolForge

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Related Compounds

5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,1-N,3-N,3-N-tetrakis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 118011351
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
N,5-diphenyl-N-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 89448189
N-dibenzothiophen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 160828586
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 158224330
N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine
CID 89448236
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
3-N-(8-dibenzothiophen-3-yldibenzothiophen-3-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157137830
1-N-dibenzothiophen-2-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-5-(16-phenyl-3-thia-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)benzene-1,3-diamine
CID 126718283
5-[7-[dibenzothiophen-2-yl(naphthalen-2-yl)amino]-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588754

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine (CID 159867112) is 1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)cc(N(c4cccc(-c5ccccc5)c4)c4ccc5sc6ccccc6c5c4)c3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccc(-c4cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)c4)cc3c3c4sc5ccccc5c4ccc32)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)c3c5sc6ccccc6c5ccc3n4-c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine?
The InChIKey is NRWGQXJJKCKZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H51N5S.C78H45N3S5.C78H49N3S3/c1-6-22-54(23-7-1)79(59-39-43-72-67(50-59)63-32-16-19-35-70(63)81(72)56-26-10-3-11-27-56)61-46-53(52-38-42-74-69(48-52)77-75(83(74)58-30-14-5-15-31-58)45-41-66-65-34-18-21-37-76(65)84-78(66)77)47-62(49-61)80(55-24-8-2-9-25-55)60-40-44-73-68(51-60)64-33-17-20-36-71(64)82(73)57-28-12-4-13-29-57;1-2-14-48(15-3-1)81-66-32-26-46(40-65(66)77-67(81)33-31-60-55-16-4-13-25-72(55)86-78(60)77)47-38-53(79(49-27-34-73-61(42-49)56-17-5-9-21-68(56)82-73)50-28-35-74-62(43-50)57-18-6-10-22-69(57)83-74)41-54(39-47)80(51-29-36-75-63(44-51)58-19-7-11-23-70(58)84-75)52-30-37-76-64(45-52)59-20-8-12-24-71(59)85-76;1-4-17-50(18-5-1)52-31-34-57(35-32-52)79(59-36-41-75-67(48-59)64-26-11-13-28-72(64)82-75)61-44-55(54-33-39-70-69(46-54)77-71(81(70)56-22-8-3-9-23-56)40-38-66-63-25-10-15-30-74(63)84-78(66)77)45-62(47-61)80(58-24-16-21-53(43-58)51-19-6-2-7-20-51)60-37-42-76-68(49-60)65-27-12-14-29-73(65)83-76/h1-51H;1-45H;1-49H.
What are the key properties of 1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine?
1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine has a molecular weight of 3399.41 g/mol, XLogP of 71.01, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 159867112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).