N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine

C178H114N8O3S2 — CID 165046532

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine
SMILESc1ccc(-n2c3ccccc3c3cc4cc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc4cc32)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3cc4c5ccccc5n(-c5ccccc5)c4cc23)cc1.c1ccc(N(c2ccc3cc4c5ccccc5n(-c5ccccc5)c4cc3c2)c2cccc3c2sc2ccccc23)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2c3ccccc3cc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C58H36N2O2.C40H26N2O.2C40H26N2S/c1-2-12-41(13-3-1)60-53-21-7-4-14-47(53)52-35-40-34-44(33-28-39(40)36-54(52)60)59(42-29-24-37(25-30-42)45-17-10-19-50-48-15-5-8-22-55(48)61-57(45)50)43-31-26-38(27-32-43)46-18-11-20-51-49-16-6-9-23-56(49)62-58(46)51;1-3-14-28(15-4-1)41(30-23-24-38-34(26-30)33-20-10-12-22-37(33)43-38)39-31-18-8-7-13-27(31)25-35-32-19-9-11-21-36(32)42(40(35)39)29-16-5-2-6-17-29;1-3-13-28(14-4-1)41(30-22-23-33-32-18-8-10-21-39(32)43-40(33)25-30)37-20-11-12-27-24-35-31-17-7-9-19-36(31)42(38(35)26-34(27)37)29-15-5-2-6-16-29;1-3-12-29(13-4-1)41(37-20-11-18-34-33-17-8-10-21-39(33)43-40(34)37)31-23-22-27-25-35-32-16-7-9-19-36(32)42(30-14-5-2-6-15-30)38(35)26-28(27)24-31/h1-36H;3*1-26H
InChIKeyOZKYIOCUCNZAAU-UHFFFAOYSA-N
MW2477.06 g/mol
LogP51.39
Rot. Bonds18

About N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine

N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine (PubChem CID 165046532) has the molecular formula C178H114N8O3S2 and a molecular weight of 2477.06 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine
PubChem CID165046532
Molecular FormulaC178H114N8O3S2
Molecular Weight2477.06 g/mol
Exact Mass2474.85
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine
SMILESc1ccc(-n2c3ccccc3c3cc4cc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc4cc32)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3cc4c5ccccc5n(-c5ccccc5)c4cc23)cc1.c1ccc(N(c2ccc3cc4c5ccccc5n(-c5ccccc5)c4cc3c2)c2cccc3c2sc2ccccc23)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2c3ccccc3cc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C58H36N2O2.C40H26N2O.2C40H26N2S/c1-2-12-41(13-3-1)60-53-21-7-4-14-47(53)52-35-40-34-44(33-28-39(40)36-54(52)60)59(42-29-24-37(25-30-42)45-17-10-19-50-48-15-5-8-22-55(48)61-57(45)50)43-31-26-38(27-32-43)46-18-11-20-51-49-16-6-9-23-56(49)62-58(46)51;1-3-14-28(15-4-1)41(30-23-24-38-34(26-30)33-20-10-12-22-37(33)43-38)39-31-18-8-7-13-27(31)25-35-32-19-9-11-21-36(32)42(40(35)39)29-16-5-2-6-17-29;1-3-13-28(14-4-1)41(30-22-23-33-32-18-8-10-21-39(32)43-40(33)25-30)37-20-11-12-27-24-35-31-17-7-9-19-36(31)42(38(35)26-34(27)37)29-15-5-2-6-16-29;1-3-12-29(13-4-1)41(37-20-11-18-34-33-17-8-10-21-39(33)43-40(34)37)31-23-22-27-25-35-32-16-7-9-19-36(32)42(30-14-5-2-6-15-30)38(35)26-28(27)24-31/h1-36H;3*1-26H
InChIKeyOZKYIOCUCNZAAU-UHFFFAOYSA-N
XLogP51.39
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002477.06
LogP ≤ 551.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine with MolForge

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Related Compounds

N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine
CID 165069906
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 158765488
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yl-4-(9-phenylcarbazol-3-yl)naphthalen-1-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-4-amine
CID 157314765
3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine
CID 159660047
N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 160775883
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
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine
CID 165093056
N-(4-dibenzofuran-2-ylphenyl)-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-phenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-phenylaniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 160887228
N-dibenzofuran-4-yl-N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814483
3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 163821962
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 158607951
N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine;N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 157343645

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine (CID 165046532) is N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine is c1ccc(-n2c3ccccc3c3cc4cc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc4cc32)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3cc4c5ccccc5n(-c5ccccc5)c4cc23)cc1.c1ccc(N(c2ccc3cc4c5ccccc5n(-c5ccccc5)c4cc3c2)c2cccc3c2sc2ccccc23)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2c3ccccc3cc3c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine?
The InChIKey is OZKYIOCUCNZAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2.C40H26N2O.2C40H26N2S/c1-2-12-41(13-3-1)60-53-21-7-4-14-47(53)52-35-40-34-44(33-28-39(40)36-54(52)60)59(42-29-24-37(25-30-42)45-17-10-19-50-48-15-5-8-22-55(48)61-57(45)50)43-31-26-38(27-32-43)46-18-11-20-51-49-16-6-9-23-56(49)62-58(46)51;1-3-14-28(15-4-1)41(30-23-24-38-34(26-30)33-20-10-12-22-37(33)43-38)39-31-18-8-7-13-27(31)25-35-32-19-9-11-21-36(32)42(40(35)39)29-16-5-2-6-17-29;1-3-13-28(14-4-1)41(30-22-23-33-32-18-8-10-21-39(32)43-40(33)25-30)37-20-11-12-27-24-35-31-17-7-9-19-36(31)42(38(35)26-34(27)37)29-15-5-2-6-16-29;1-3-12-29(13-4-1)41(37-20-11-18-34-33-17-8-10-21-39(33)43-40(34)37)31-23-22-27-25-35-32-16-7-9-19-36(32)42(30-14-5-2-6-15-30)38(35)26-28(27)24-31/h1-36H;3*1-26H.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine?
N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine has a molecular weight of 2477.06 g/mol, XLogP of 51.39, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-dibenzofuran-2-yl-N,5-diphenylbenzo[b]carbazol-6-amine;N-dibenzothiophen-3-yl-N,5-diphenylbenzo[b]carbazol-7-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine is sourced from PubChem (CID 165046532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).