N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

C50H34N2 — CID 118103056

IUPACN-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2cccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C50H34N2/c1-2-19-40(20-3-1)51(42-30-28-35-14-4-5-16-37(35)32-42)41-21-12-18-38(33-41)43-22-8-9-23-44(43)39-29-31-50-47(34-39)46-25-10-11-26-49(46)52(50)48-27-13-17-36-15-6-7-24-45(36)48/h1-34H
InChIKeyDDOCZBPJBKUZGN-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 118103056) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID118103056
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC NameN-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2cccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C50H34N2/c1-2-19-40(20-3-1)51(42-30-28-35-14-4-5-16-37(35)32-42)41-21-12-18-38(33-41)43-22-8-9-23-44(43)39-29-31-50-47(34-39)46-25-10-11-26-49(46)52(50)48-27-13-17-36-15-6-7-24-45(36)48/h1-34H
InChIKeyDDOCZBPJBKUZGN-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103040
N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118103122
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)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660105
N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
CID 118087598
3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 170664561
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 167322685
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-3-(2-phenylphenyl)aniline
CID 167322827

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 118103056) is N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(N(c2cccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is DDOCZBPJBKUZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-2-19-40(20-3-1)51(42-30-28-35-14-4-5-16-37(35)32-42)41-21-12-18-38(33-41)43-22-8-9-23-44(43)39-29-31-50-47(34-39)46-25-10-11-26-49(46)52(50)48-27-13-17-36-15-6-7-24-45(36)48/h1-34H.
What are the key properties of N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 662.84 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 118103056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).