N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine

C33H27N — CID 154592912

IUPACN,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2cc3ccccc3cc2-c2ccc3c(c2)C2CCC3C2)cc1
InChIInChI=1S/C33H27N/c1-3-11-28(12-4-1)34(29-13-5-2-6-14-29)33-22-24-10-8-7-9-23(24)20-32(33)27-17-18-30-25-15-16-26(19-25)31(30)21-27/h1-14,17-18,20-22,25-26H,15-16,19H2
InChIKeyUHMKEVFSGPKMIC-UHFFFAOYSA-N
MW437.59 g/mol
LogP9.34
Rot. Bonds4

About N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine

N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine (PubChem CID 154592912) has the molecular formula C33H27N and a molecular weight of 437.59 g/mol. Its IUPAC name is N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine
PubChem CID154592912
Molecular FormulaC33H27N
Molecular Weight437.59 g/mol
Exact Mass437.21
IUPAC NameN,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2cc3ccccc3cc2-c2ccc3c(c2)C2CCC3C2)cc1
InChIInChI=1S/C33H27N/c1-3-11-28(12-4-1)34(29-13-5-2-6-14-29)33-22-24-10-8-7-9-23(24)20-32(33)27-17-18-30-25-15-16-26(19-25)31(30)21-27/h1-14,17-18,20-22,25-26H,15-16,19H2
InChIKeyUHMKEVFSGPKMIC-UHFFFAOYSA-N
XLogP9.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine
CID 154592980
3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588172
1-N,3-N-bis(4-bromophenyl)-1-N,3-N-bis[3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]benzene-1,3-diamine
CID 142500420
N,N-diphenyl-2-(7-tetracyclo[9.2.1.01,4.05,10]tetradeca-5(10),6,8-trienyl)aniline
CID 142500845
4-[3-(N-phenylanilino)naphthalen-2-yl]benzonitrile
CID 155133337
1-N,3-N,4,6-tetraphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 118603843
1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611813
N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
CID 155123170
CID 67466440
CID 67466440
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline
CID 170289431
3-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588253
4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine
CID 118603870

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine?
The IUPAC name of N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine (CID 154592912) is N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine.
What is the SMILES notation for N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine?
The canonical SMILES for N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine is c1ccc(N(c2ccccc2)c2cc3ccccc3cc2-c2ccc3c(c2)C2CCC3C2)cc1.
What is the InChIKey of N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine?
The InChIKey is UHMKEVFSGPKMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N/c1-3-11-28(12-4-1)34(29-13-5-2-6-14-29)33-22-24-10-8-7-9-23(24)20-32(33)27-17-18-30-25-15-16-26(19-25)31(30)21-27/h1-14,17-18,20-22,25-26H,15-16,19H2.
What are the key properties of N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine?
N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine has a molecular weight of 437.59 g/mol, XLogP of 9.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine is sourced from PubChem (CID 154592912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).