6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine

C74H55N3 — CID 145272963

IUPAC6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine
SMILESCc1ccccc1-c1c(C)ccc2c1c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)ccc1n2-c1ccccc1
InChIInChI=1S/C74H55N3/c1-52-22-15-16-33-65(52)73-53(2)38-48-72-74(73)68-51-64(47-49-71(68)77(72)60-30-13-6-14-31-60)76(62-45-41-58(42-46-62)55-25-9-4-10-26-55)70-37-20-18-35-67(70)66-34-17-19-36-69(66)75(61-43-39-57(40-44-61)54-23-7-3-8-24-54)63-32-21-29-59(50-63)56-27-11-5-12-28-56/h3-51H,1-2H3
InChIKeyUDEHOVOZFHPBPO-UHFFFAOYSA-N
MW986.28 g/mol
LogP20.68
Rot. Bonds12

About 6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine

6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine (PubChem CID 145272963) has the molecular formula C74H55N3 and a molecular weight of 986.28 g/mol. Its IUPAC name is 6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine.

Molecular Properties

Compound Name6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine
PubChem CID145272963
Molecular FormulaC74H55N3
Molecular Weight986.28 g/mol
Exact Mass985.44
IUPAC Name6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine
SMILESCc1ccccc1-c1c(C)ccc2c1c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)ccc1n2-c1ccccc1
InChIInChI=1S/C74H55N3/c1-52-22-15-16-33-65(52)73-53(2)38-48-72-74(73)68-51-64(47-49-71(68)77(72)60-30-13-6-14-31-60)76(62-45-41-58(42-46-62)55-25-9-4-10-26-55)70-37-20-18-35-67(70)66-34-17-19-36-69(66)75(61-43-39-57(40-44-61)54-23-7-3-8-24-54)63-32-21-29-59(50-63)56-27-11-5-12-28-56/h3-51H,1-2H3
InChIKeyUDEHOVOZFHPBPO-UHFFFAOYSA-N
XLogP20.68
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.28
LogP ≤ 520.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167195810
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 169010447
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168790601
9-phenyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790655
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine?
The IUPAC name of 6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine (CID 145272963) is 6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine.
What is the SMILES notation for 6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine?
The canonical SMILES for 6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine is Cc1ccccc1-c1c(C)ccc2c1c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)ccc1n2-c1ccccc1.
What is the InChIKey of 6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine?
The InChIKey is UDEHOVOZFHPBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H55N3/c1-52-22-15-16-33-65(52)73-53(2)38-48-72-74(73)68-51-64(47-49-71(68)77(72)60-30-13-6-14-31-60)76(62-45-41-58(42-46-62)55-25-9-4-10-26-55)70-37-20-18-35-67(70)66-34-17-19-36-69(66)75(61-43-39-57(40-44-61)54-23-7-3-8-24-54)63-32-21-29-59(50-63)56-27-11-5-12-28-56/h3-51H,1-2H3.
What are the key properties of 6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine?
6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine has a molecular weight of 986.28 g/mol, XLogP of 20.68, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine is sourced from PubChem (CID 145272963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).