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

C54H34N2 — CID 167357281

IUPACN-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
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4c6ccccc6cc6cccc-5c46)c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C54H34N2/c1-2-14-36(15-3-1)43-19-8-10-23-50(43)56-51-24-11-9-21-46(51)48-33-42(28-30-52(48)56)55(40-26-25-35-13-4-5-16-37(35)32-40)41-27-29-45-47-22-12-18-39-31-38-17-6-7-20-44(38)54(53(39)47)49(45)34-41/h1-34H
InChIKeyOKAZVJHRAZYLQU-UHFFFAOYSA-N
MW710.88 g/mol
LogP15.03
Rot. Bonds5

About 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

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 (PubChem CID 167357281) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID167357281
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC NameN-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
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4c6ccccc6cc6cccc-5c46)c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C54H34N2/c1-2-14-36(15-3-1)43-19-8-10-23-50(43)56-51-24-11-9-21-46(51)48-33-42(28-30-52(48)56)55(40-26-25-35-13-4-5-16-37(35)32-40)41-27-29-45-47-22-12-18-39-31-38-17-6-7-20-44(38)54(53(39)47)49(45)34-41/h1-34H
InChIKeyOKAZVJHRAZYLQU-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-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 with MolForge

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Related Compounds

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
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-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380597
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-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 174309818
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 167322073
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine
CID 174276936
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
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 167528489
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322678

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccccc2-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4c6ccccc6cc6cccc-5c46)c4ccc5ccccc5c4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is OKAZVJHRAZYLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-2-14-36(15-3-1)43-19-8-10-23-50(43)56-51-24-11-9-21-46(51)48-33-42(28-30-52(48)56)55(40-26-25-35-13-4-5-16-37(35)32-40)41-27-29-45-47-22-12-18-39-31-38-17-6-7-20-44(38)54(53(39)47)49(45)34-41/h1-34H.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 167357281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).