9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine

C59H41N3 — CID 144781061

IUPAC9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine
SMILESCc1c(Nc2ccccc2)ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc3n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c12
InChIInChI=1S/C59H41N3/c1-39-54(60-47-22-9-4-10-23-47)31-30-51-53-38-44(43-29-33-58-52(37-43)50-25-13-14-26-56(50)62(58)55-27-15-21-42-20-11-12-24-49(42)55)28-32-57(53)61(59(39)51)48-35-45(40-16-5-2-6-17-40)34-46(36-48)41-18-7-3-8-19-41/h2-38,60H,1H3
InChIKeyPCMPUTNDHMZVDR-UHFFFAOYSA-N
MW792.00 g/mol
LogP16.09
Rot. Bonds7

About 9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine

9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine (PubChem CID 144781061) has the molecular formula C59H41N3 and a molecular weight of 792.00 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine.

Molecular Properties

Compound Name9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine
PubChem CID144781061
Molecular FormulaC59H41N3
Molecular Weight792.00 g/mol
Exact Mass791.33
IUPAC Name9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine
SMILESCc1c(Nc2ccccc2)ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc3n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c12
InChIInChI=1S/C59H41N3/c1-39-54(60-47-22-9-4-10-23-47)31-30-51-53-38-44(43-29-33-58-52(37-43)50-25-13-14-26-56(50)62(58)55-27-15-21-42-20-11-12-24-49(42)55)28-32-57(53)61(59(39)51)48-35-45(40-16-5-2-6-17-40)34-46(36-48)41-18-7-3-8-19-41/h2-38,60H,1H3
InChIKeyPCMPUTNDHMZVDR-UHFFFAOYSA-N
XLogP16.09
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.00
LogP ≤ 516.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-[3,5-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-(3,5-diphenylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 158931818
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 146262895
11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole
CID 59365908
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 134168763
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
3-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]-9-phenylcarbazole;8-(9-naphthalen-1-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 160934909
5-naphthalen-1-yl-12-(6-phenylnaphthalen-1-yl)indolo[3,2-c]carbazole
CID 142482126
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
CID 134369784

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine?
The IUPAC name of 9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine (CID 144781061) is 9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine.
What is the SMILES notation for 9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine?
The canonical SMILES for 9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine is Cc1c(Nc2ccccc2)ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc3n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c12.
What is the InChIKey of 9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine?
The InChIKey is PCMPUTNDHMZVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3/c1-39-54(60-47-22-9-4-10-23-47)31-30-51-53-38-44(43-29-33-58-52(37-43)50-25-13-14-26-56(50)62(58)55-27-15-21-42-20-11-12-24-49(42)55)28-32-57(53)61(59(39)51)48-35-45(40-16-5-2-6-17-40)34-46(36-48)41-18-7-3-8-19-41/h2-38,60H,1H3.
What are the key properties of 9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine?
9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine has a molecular weight of 792.00 g/mol, XLogP of 16.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine is sourced from PubChem (CID 144781061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).