9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine

C54H34N2 — CID 167357212

IUPAC9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)c3cccc4c3-c3cccc5cc6ccccc6c-4c35)c2)cc1
InChIInChI=1S/C54H34N2/c1-2-13-35(14-3-1)38-18-10-20-41(32-38)55(50-26-12-24-48-53(50)47-23-11-19-40-31-39-17-6-7-21-44(39)54(48)52(40)47)43-29-30-46-45-22-8-9-25-49(45)56(51(46)34-43)42-28-27-36-15-4-5-16-37(36)33-42/h1-34H
InChIKeyQWVITLSPYQHFPV-UHFFFAOYSA-N
MW710.88 g/mol
LogP15.03
Rot. Bonds5

About 9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine

9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine (PubChem CID 167357212) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine
PubChem CID167357212
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)c3cccc4c3-c3cccc5cc6ccccc6c-4c35)c2)cc1
InChIInChI=1S/C54H34N2/c1-2-13-35(14-3-1)38-18-10-20-41(32-38)55(50-26-12-24-48-53(50)47-23-11-19-40-31-39-17-6-7-21-44(39)54(48)52(40)47)43-29-30-46-45-22-8-9-25-49(45)56(51(46)34-43)42-28-27-36-15-4-5-16-37(36)33-42/h1-34H
InChIKeyQWVITLSPYQHFPV-UHFFFAOYSA-N
XLogP15.03
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine with MolForge

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Related Compounds

9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-phenylcarbazol-2-amine
CID 167357307
3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 167038444
N-naphthalen-1-yl-N-[3-[2-[9-[4-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]phenyl]naphthalen-2-amine
CID 118337362
N-(3-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789652
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258400
N-dibenzofuran-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-2-amine
CID 167357236
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788793
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168790792
N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 177097182
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168788660
N-(2,3-diphenylphenyl)-9-phenyl-N-(6-phenylnaphthalen-2-yl)carbazol-2-amine
CID 165394959
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine?
The IUPAC name of 9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine (CID 167357212) is 9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine is c1ccc(-c2cccc(N(c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)c3cccc4c3-c3cccc5cc6ccccc6c-4c35)c2)cc1.
What is the InChIKey of 9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine?
The InChIKey is QWVITLSPYQHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-2-13-35(14-3-1)38-18-10-20-41(32-38)55(50-26-12-24-48-53(50)47-23-11-19-40-31-39-17-6-7-21-44(39)54(48)52(40)47)43-29-30-46-45-22-8-9-25-49(45)56(51(46)34-43)42-28-27-36-15-4-5-16-37(36)33-42/h1-34H.
What are the key properties of 9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine?
9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine has a molecular weight of 710.88 g/mol, XLogP of 15.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 167357212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).