N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine

C43H29N3 — CID 176588568

IUPACN-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3ccc(-c4cc5ccccc5cn4)cc3c2)cc1
InChIInChI=1S/C43H29N3/c1-2-12-35(13-3-1)45(36-22-24-37(25-23-36)46-42-16-8-6-14-39(42)40-15-7-9-17-43(40)46)38-21-20-30-18-19-32(26-34(30)27-38)41-28-31-10-4-5-11-33(31)29-44-41/h1-29H
InChIKeyWGZFMXDPCFPUPJ-UHFFFAOYSA-N
MW587.73 g/mol
LogP11.62
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine

N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine (PubChem CID 176588568) has the molecular formula C43H29N3 and a molecular weight of 587.73 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine
PubChem CID176588568
Molecular FormulaC43H29N3
Molecular Weight587.73 g/mol
Exact Mass587.24
IUPAC NameN-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3ccc(-c4cc5ccccc5cn4)cc3c2)cc1
InChIInChI=1S/C43H29N3/c1-2-12-35(13-3-1)45(36-22-24-37(25-23-36)46-42-16-8-6-14-39(42)40-15-7-9-17-43(40)46)38-21-20-30-18-19-32(26-34(30)27-38)41-28-31-10-4-5-11-33(31)29-44-41/h1-29H
InChIKeyWGZFMXDPCFPUPJ-UHFFFAOYSA-N
XLogP11.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.73
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
3-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146577954
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383
N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
CID 118505881
N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146580367
N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
CID 175613227
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine (CID 176588568) is N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3ccc(-c4cc5ccccc5cn4)cc3c2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine?
The InChIKey is WGZFMXDPCFPUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3/c1-2-12-35(13-3-1)45(36-22-24-37(25-23-36)46-42-16-8-6-14-39(42)40-15-7-9-17-43(40)46)38-21-20-30-18-19-32(26-34(30)27-38)41-28-31-10-4-5-11-33(31)29-44-41/h1-29H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine?
N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine has a molecular weight of 587.73 g/mol, XLogP of 11.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 176588568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).