N-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole

C62H50N4 — CID 142356568

IUPACN-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole
SMILESCc1ccccc1N(c1ccccc1)c1ccc2c3ccccc3n(-c3cccc(-c4ccccc4)c3)c2c1.Cn1c2c(c3ccc4c(c5c(n4-c4ccccc4)C=CCC5)c31)C=CCC2
InChIInChI=1S/C37H28N2.C25H22N2/c1-27-13-8-10-21-35(27)38(30-17-6-3-7-18-30)32-23-24-34-33-20-9-11-22-36(33)39(37(34)26-32)31-19-12-16-29(25-31)28-14-4-2-5-15-28;1-26-21-13-7-5-11-18(21)19-15-16-23-24(25(19)26)20-12-6-8-14-22(20)27(23)17-9-3-2-4-10-17/h2-26H,1H3;2-5,8-11,14-16H,6-7,12-13H2,1H3
InChIKeyPMOJPOBRMYYTHO-UHFFFAOYSA-N
MW851.11 g/mol
LogP16.27
Rot. Bonds6

About N-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole

N-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole (PubChem CID 142356568) has the molecular formula C62H50N4 and a molecular weight of 851.11 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole
PubChem CID142356568
Molecular FormulaC62H50N4
Molecular Weight851.11 g/mol
Exact Mass850.40
IUPAC NameN-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole
SMILESCc1ccccc1N(c1ccccc1)c1ccc2c3ccccc3n(-c3cccc(-c4ccccc4)c3)c2c1.Cn1c2c(c3ccc4c(c5c(n4-c4ccccc4)C=CCC5)c31)C=CCC2
InChIInChI=1S/C37H28N2.C25H22N2/c1-27-13-8-10-21-35(27)38(30-17-6-3-7-18-30)32-23-24-34-33-20-9-11-22-36(33)39(37(34)26-32)31-19-12-16-29(25-31)28-14-4-2-5-15-28;1-26-21-13-7-5-11-18(21)19-15-16-23-24(25(19)26)20-12-6-8-14-22(20)27(23)17-9-3-2-4-10-17/h2-26H,1H3;2-5,8-11,14-16H,6-7,12-13H2,1H3
InChIKeyPMOJPOBRMYYTHO-UHFFFAOYSA-N
XLogP16.27
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.11
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 88950410
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
N-(4-fluorophenyl)-N-[4-[4-(4-fluoro-N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 129301071
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269
9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 170286782
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167195028
2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-(2-carbazol-9-ylcarbazol-9-yl)-N-phenyl-N-(4-phenylphenyl)aniline;2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylcarbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine;N-phenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine
CID 158775841
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-4-yl]phenyl]-7,8-dihydrocarbazol-3-yl]phenyl]fluoren-2-amine
CID 170420745
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole?
The IUPAC name of N-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole (CID 142356568) is N-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole.
What is the SMILES notation for N-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole?
The canonical SMILES for N-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole is Cc1ccccc1N(c1ccccc1)c1ccc2c3ccccc3n(-c3cccc(-c4ccccc4)c3)c2c1.Cn1c2c(c3ccc4c(c5c(n4-c4ccccc4)C=CCC5)c31)C=CCC2.
What is the InChIKey of N-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole?
The InChIKey is PMOJPOBRMYYTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2.C25H22N2/c1-27-13-8-10-21-35(27)38(30-17-6-3-7-18-30)32-23-24-34-33-20-9-11-22-36(33)39(37(34)26-32)31-19-12-16-29(25-31)28-14-4-2-5-15-28;1-26-21-13-7-5-11-18(21)19-15-16-23-24(25(19)26)20-12-6-8-14-22(20)27(23)17-9-3-2-4-10-17/h2-26H,1H3;2-5,8-11,14-16H,6-7,12-13H2,1H3.
What are the key properties of N-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole?
N-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole has a molecular weight of 851.11 g/mol, XLogP of 16.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine;12-methyl-5-phenyl-1,2,10,11-tetrahydroindolo[3,2-c]carbazole is sourced from PubChem (CID 142356568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).