N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine

C37H33N — CID 154592980

IUPACN,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2cc3ccccc3cc2-c2ccc3c(c2)C2CC4CC(CC3C4)C2)cc1
InChIInChI=1S/C37H33N/c1-3-11-32(12-4-1)38(33-13-5-2-6-14-33)37-24-28-10-8-7-9-27(28)22-36(37)29-15-16-34-30-18-25-17-26(19-30)21-31(20-25)35(34)23-29/h1-16,22-26,30-31H,17-21H2
InChIKeyIKDLUMIFMCWGJJ-UHFFFAOYSA-N
MW491.68 g/mol
LogP10.37
Rot. Bonds4

About N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine

N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine (PubChem CID 154592980) has the molecular formula C37H33N and a molecular weight of 491.68 g/mol. Its IUPAC name is N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine
PubChem CID154592980
Molecular FormulaC37H33N
Molecular Weight491.68 g/mol
Exact Mass491.26
IUPAC NameN,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2cc3ccccc3cc2-c2ccc3c(c2)C2CC4CC(CC3C4)C2)cc1
InChIInChI=1S/C37H33N/c1-3-11-32(12-4-1)38(33-13-5-2-6-14-33)37-24-28-10-8-7-9-27(28)22-36(37)29-15-16-34-30-18-25-17-26(19-30)21-31(20-25)35(34)23-29/h1-16,22-26,30-31H,17-21H2
InChIKeyIKDLUMIFMCWGJJ-UHFFFAOYSA-N
XLogP10.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 510.37
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
3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588172
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
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
N-[4-(1-adamantyl)phenyl]-N-(3-phenanthren-9-ylphenyl)-2,5-diphenylaniline
CID 177079809
4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine
CID 118603870
N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-5-amine
CID 166031744
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
3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine
CID 176588141
N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
CID 155123170
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine?
The IUPAC name of N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine (CID 154592980) is N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine.
What is the SMILES notation for N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine?
The canonical SMILES for N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine is c1ccc(N(c2ccccc2)c2cc3ccccc3cc2-c2ccc3c(c2)C2CC4CC(CC3C4)C2)cc1.
What is the InChIKey of N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine?
The InChIKey is IKDLUMIFMCWGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N/c1-3-11-32(12-4-1)38(33-13-5-2-6-14-33)37-24-28-10-8-7-9-27(28)22-36(37)29-15-16-34-30-18-25-17-26(19-30)21-31(20-25)35(34)23-29/h1-16,22-26,30-31H,17-21H2.
What are the key properties of N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine?
N,N-diphenyl-3-(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine has a molecular weight of 491.68 g/mol, XLogP of 10.37, 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-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)naphthalen-2-amine is sourced from PubChem (CID 154592980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).