4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline

C58H47N3 — CID 163810192

IUPAC4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline
SMILESCc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3C)c(C)c2)cc1C
InChIInChI=1S/C58H47N3/c1-40-36-47(59(44-18-8-5-9-19-44)45-20-10-6-11-21-45)28-32-51(40)52-33-29-48(37-41(52)2)60(46-22-12-7-13-23-46)49-30-34-53(42(3)38-49)54-35-31-50(39-43(54)4)61-57-26-16-14-24-55(57)56-25-15-17-27-58(56)61/h5-39H,1-4H3
InChIKeyNMOQXNHYXISCEG-UHFFFAOYSA-N
MW786.04 g/mol
LogP16.29
Rot. Bonds9

About 4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline

4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline (PubChem CID 163810192) has the molecular formula C58H47N3 and a molecular weight of 786.04 g/mol. Its IUPAC name is 4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline
PubChem CID163810192
Molecular FormulaC58H47N3
Molecular Weight786.04 g/mol
Exact Mass785.38
IUPAC Name4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline
SMILESCc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3C)c(C)c2)cc1C
InChIInChI=1S/C58H47N3/c1-40-36-47(59(44-18-8-5-9-19-44)45-20-10-6-11-21-45)28-32-51(40)52-33-29-48(37-41(52)2)60(46-22-12-7-13-23-46)49-30-34-53(42(3)38-49)54-35-31-50(39-43(54)4)61-57-26-16-14-24-55(57)56-25-15-17-27-58(56)61/h5-39H,1-4H3
InChIKeyNMOQXNHYXISCEG-UHFFFAOYSA-N
XLogP16.29
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.04
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline with MolForge

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Related Compounds

N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
CID 126730673
N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene
CID 145407645
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
9-[3-methyl-4-(1,10-phenanthrolin-5-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130353917
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630101
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline?
The IUPAC name of 4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline (CID 163810192) is 4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline?
The canonical SMILES for 4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline is Cc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3C)c(C)c2)cc1C.
What is the InChIKey of 4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline?
The InChIKey is NMOQXNHYXISCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N3/c1-40-36-47(59(44-18-8-5-9-19-44)45-20-10-6-11-21-45)28-32-51(40)52-33-29-48(37-41(52)2)60(46-22-12-7-13-23-46)49-30-34-53(42(3)38-49)54-35-31-50(39-43(54)4)61-57-26-16-14-24-55(57)56-25-15-17-27-58(56)61/h5-39H,1-4H3.
What are the key properties of 4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline?
4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline has a molecular weight of 786.04 g/mol, XLogP of 16.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline is sourced from PubChem (CID 163810192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).