N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine

C54H34N2 — CID 167281881

IUPACN-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4cccc6cc7ccccc7c-5c46)c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C54H34N2/c1-2-14-35(15-3-1)42-21-8-10-25-50(42)56-51-26-11-9-23-44(51)48-34-40(29-31-52(48)56)55(49-27-13-18-36-16-4-6-20-41(36)49)39-28-30-46-47(33-39)45-24-12-19-38-32-37-17-5-7-22-43(37)54(46)53(38)45/h1-34H
InChIKeyCIVOPQSDMWITCS-UHFFFAOYSA-N
MW710.88 g/mol
LogP15.03
Rot. Bonds5

About N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine

N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine (PubChem CID 167281881) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine
PubChem CID167281881
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC NameN-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4cccc6cc7ccccc7c-5c46)c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C54H34N2/c1-2-14-35(15-3-1)42-21-8-10-25-50(42)56-51-26-11-9-23-44(51)48-34-40(29-31-52(48)56)55(49-27-13-18-36-16-4-6-20-41(36)49)39-28-30-46-47(33-39)45-24-12-19-38-32-37-17-5-7-22-43(37)54(46)53(38)45/h1-34H
InChIKeyCIVOPQSDMWITCS-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 N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine with MolForge

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Related Compounds

N-naphthalen-2-yl-N-(4-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-(2-phenylphenyl)carbazol-3-amine
CID 167357281
N-(5-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-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 167282085
N-(5-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,9-diphenylcarbazol-3-amine
CID 167357224
N-naphthalen-1-yl-N-(3-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-3-amine
CID 167357291
N-naphthalen-2-yl-N-(5-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-3-amine
CID 167357254
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 174309808
N-(3-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,9-diphenylcarbazol-3-amine
CID 167357299
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 139339073
N-naphthalen-1-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine
CID 129092334
N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 170271578
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790262

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine (CID 167281881) is N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccccc2-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4cccc6cc7ccccc7c-5c46)c4cccc5ccccc45)ccc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine?
The InChIKey is CIVOPQSDMWITCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-2-14-35(15-3-1)42-21-8-10-25-50(42)56-51-26-11-9-23-44(51)48-34-40(29-31-52(48)56)55(49-27-13-18-36-16-4-6-20-41(36)49)39-28-30-46-47(33-39)45-24-12-19-38-32-37-17-5-7-22-43(37)54(46)53(38)45/h1-34H.
What are the key properties of N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine?
N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-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 N-naphthalen-1-yl-N-(5-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-(2-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 167281881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).