N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C52H36N2 — CID 130452731

IUPACN-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-3-13-37(14-4-1)39-23-29-44(30-24-39)53(46-33-25-38-15-7-8-16-41(38)35-46)45-31-26-40(27-32-45)47-19-9-10-20-48(47)42-28-34-50-49-21-11-12-22-51(49)54(52(50)36-42)43-17-5-2-6-18-43/h1-36H
InChIKeyKCBIKPJPFUPBIS-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

About N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 130452731) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID130452731
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-3-13-37(14-4-1)39-23-29-44(30-24-39)53(46-33-25-38-15-7-8-16-41(38)35-46)45-31-26-40(27-32-45)47-19-9-10-20-48(47)42-28-34-50-49-21-11-12-22-51(49)54(52(50)36-42)43-17-5-2-6-18-43/h1-36H
InChIKeyKCBIKPJPFUPBIS-UHFFFAOYSA-N
XLogP14.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118034825
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380685
3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 126628031
N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
CID 118505881
N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-8-amine
CID 155034274
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337160
7-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 146573851
9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 166032415

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 130452731) is N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is KCBIKPJPFUPBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-3-13-37(14-4-1)39-23-29-44(30-24-39)53(46-33-25-38-15-7-8-16-41(38)35-46)45-31-26-40(27-32-45)47-19-9-10-20-48(47)42-28-34-50-49-21-11-12-22-51(49)54(52(50)36-42)43-17-5-2-6-18-43/h1-36H.
What are the key properties of N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 688.87 g/mol, XLogP of 14.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 130452731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).