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

C32H29N — CID 142500845

IUPACN,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2ccc3c(c2)C2CCC24CCC3C4)cc1
InChIInChI=1S/C32H29N/c1-3-9-25(10-4-1)33(26-11-5-2-6-12-26)31-14-8-7-13-28(31)23-15-16-27-24-17-19-32(22-24)20-18-30(32)29(27)21-23/h1-16,21,24,30H,17-20,22H2
InChIKeyACRRNNRUEXMGFD-UHFFFAOYSA-N
MW427.59 g/mol
LogP8.97
Rot. Bonds4

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

N,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline (PubChem CID 142500845) has the molecular formula C32H29N and a molecular weight of 427.59 g/mol. Its IUPAC name is N,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline
PubChem CID142500845
Molecular FormulaC32H29N
Molecular Weight427.59 g/mol
Exact Mass427.23
IUPAC NameN,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2ccc3c(c2)C2CCC24CCC3C4)cc1
InChIInChI=1S/C32H29N/c1-3-9-25(10-4-1)33(26-11-5-2-6-12-26)31-14-8-7-13-28(31)23-15-16-27-24-17-19-32(22-24)20-18-30(32)29(27)21-23/h1-16,21,24,30H,17-20,22H2
InChIKeyACRRNNRUEXMGFD-UHFFFAOYSA-N
XLogP8.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine
CID 154592912
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
6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 154592998
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine
CID 154592980
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 168764885
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline?
The IUPAC name of N,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline (CID 142500845) is N,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline.
What is the SMILES notation for N,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline?
The canonical SMILES for N,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline is c1ccc(N(c2ccccc2)c2ccccc2-c2ccc3c(c2)C2CCC24CCC3C4)cc1.
What is the InChIKey of N,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline?
The InChIKey is ACRRNNRUEXMGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N/c1-3-9-25(10-4-1)33(26-11-5-2-6-12-26)31-14-8-7-13-28(31)23-15-16-27-24-17-19-32(22-24)20-18-30(32)29(27)21-23/h1-16,21,24,30H,17-20,22H2.
What are the key properties of N,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline?
N,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline has a molecular weight of 427.59 g/mol, XLogP of 8.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline is sourced from PubChem (CID 142500845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).