N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine

C39H27N3 — CID 121296361

IUPACN-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc(-n4c5ccccc5c5cnccc54)c3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C39H27N3/c1-2-13-31(14-3-1)41(37-19-9-11-29-10-4-5-16-34(29)37)32-22-20-28(21-23-32)30-12-8-15-33(26-30)42-38-18-7-6-17-35(38)36-27-40-25-24-39(36)42/h1-27H
InChIKeyMHRNXAOCOFUOTF-UHFFFAOYSA-N
MW537.67 g/mol
LogP10.47
Rot. Bonds5

About N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine

N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine (PubChem CID 121296361) has the molecular formula C39H27N3 and a molecular weight of 537.67 g/mol. Its IUPAC name is N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine
PubChem CID121296361
Molecular FormulaC39H27N3
Molecular Weight537.67 g/mol
Exact Mass537.22
IUPAC NameN-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc(-n4c5ccccc5c5cnccc54)c3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C39H27N3/c1-2-13-31(14-3-1)41(37-19-9-11-29-10-4-5-16-34(29)37)32-22-20-28(21-23-32)30-12-8-15-33(26-30)42-38-18-7-6-17-35(38)36-27-40-25-24-39(36)42/h1-27H
InChIKeyMHRNXAOCOFUOTF-UHFFFAOYSA-N
XLogP10.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160763185
N-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118152627
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine
CID 135271748
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(3-phenylphenyl)-4-N-[9-(3-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
CID 177116835
N,N-bis(4-phenylphenyl)-9-(3-pyridin-4-ylphenyl)carbazol-4-amine;N-(3,5-diphenylphenyl)-N-phenyl-9-(3-pyridin-4-ylphenyl)carbazol-4-amine;N-phenyl-N-[4-(4-phenylphenyl)phenyl]-9-(3-pyridin-4-ylphenyl)carbazol-4-amine
CID 158243635
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121311226
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine (CID 121296361) is N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine is c1ccc(N(c2ccc(-c3cccc(-n4c5ccccc5c5cnccc54)c3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is MHRNXAOCOFUOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3/c1-2-13-31(14-3-1)41(37-19-9-11-29-10-4-5-16-34(29)37)32-22-20-28(21-23-32)30-12-8-15-33(26-30)42-38-18-7-6-17-35(38)36-27-40-25-24-39(36)42/h1-27H.
What are the key properties of N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine?
N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 537.67 g/mol, XLogP of 10.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 121296361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).