N,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine

C36H31N — CID 142500308

IUPACN,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)C3CCC35CCC4C5)c3ccccc3c2)cc1
InChIInChI=1S/C36H31N/c1-3-10-28(11-4-1)37(29-12-5-2-6-13-29)30-21-25-9-7-8-14-31(25)33(23-30)26-15-16-32-27-17-19-36(24-27)20-18-35(36)34(32)22-26/h1-16,21-23,27,35H,17-20,24H2
InChIKeyXLQQJKZPNPFIJS-UHFFFAOYSA-N
MW477.65 g/mol
LogP10.12
Rot. Bonds4

About N,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine

N,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine (PubChem CID 142500308) has the molecular formula C36H31N and a molecular weight of 477.65 g/mol. Its IUPAC name is N,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine
PubChem CID142500308
Molecular FormulaC36H31N
Molecular Weight477.65 g/mol
Exact Mass477.25
IUPAC NameN,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)C3CCC35CCC4C5)c3ccccc3c2)cc1
InChIInChI=1S/C36H31N/c1-3-10-28(11-4-1)37(29-12-5-2-6-13-29)30-21-25-9-7-8-14-31(25)33(23-30)26-15-16-32-27-17-19-36(24-27)20-18-35(36)34(32)22-26/h1-16,21-23,27,35H,17-20,24H2
InChIKeyXLQQJKZPNPFIJS-UHFFFAOYSA-N
XLogP10.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,4-triphenylnaphthalen-2-amine
CID 138623110
N,N-diphenyl-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)naphthalen-2-amine
CID 142500620
4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 166589751
1-N,3-N-bis(4-bromophenyl)-3-N-[3-(7-tetracyclo[8.2.1.01,3.04,9]trideca-4(9),5,7-trienyl)phenyl]-1-N-[3-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]benzene-1,3-diamine
CID 142500694
3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 142614567
N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine
CID 154592912
N-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 139352860
3-naphthalen-1-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566666
N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine
CID 170141437
4-(5-naphthalen-1-ylanthracen-1-yl)-N,N-diphenylaniline
CID 142716868
3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159059412
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine?
The IUPAC name of N,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine (CID 142500308) is N,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine.
What is the SMILES notation for N,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine?
The canonical SMILES for N,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine is c1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)C3CCC35CCC4C5)c3ccccc3c2)cc1.
What is the InChIKey of N,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine?
The InChIKey is XLQQJKZPNPFIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N/c1-3-10-28(11-4-1)37(29-12-5-2-6-13-29)30-21-25-9-7-8-14-31(25)33(23-30)26-15-16-32-27-17-19-36(24-27)20-18-35(36)34(32)22-26/h1-16,21-23,27,35H,17-20,24H2.
What are the key properties of N,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine?
N,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine has a molecular weight of 477.65 g/mol, XLogP of 10.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)naphthalen-2-amine is sourced from PubChem (CID 142500308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).