2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine

C44H30N2 — CID 168809163

IUPAC2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc4ccccc34)c3c(-n4c5ccccc5c5ccccc54)ccc4ccccc34)c2)cc1
InChIInChI=1S/C44H30N2/c1-2-14-31(15-3-1)34-19-12-20-35(30-34)45(40-27-13-18-32-16-4-6-21-36(32)40)44-37-22-7-5-17-33(37)28-29-43(44)46-41-25-10-8-23-38(41)39-24-9-11-26-42(39)46/h1-30H
InChIKeyQFHCJKKDRBONBJ-UHFFFAOYSA-N
MW586.74 g/mol
LogP12.23
Rot. Bonds5

About 2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine

2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine (PubChem CID 168809163) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine
PubChem CID168809163
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC Name2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc4ccccc34)c3c(-n4c5ccccc5c5ccccc54)ccc4ccccc34)c2)cc1
InChIInChI=1S/C44H30N2/c1-2-14-31(15-3-1)34-19-12-20-35(30-34)45(40-27-13-18-32-16-4-6-21-36(32)40)44-37-22-7-5-17-33(37)28-29-43(44)46-41-25-10-8-23-38(41)39-24-9-11-26-42(39)46/h1-30H
InChIKeyQFHCJKKDRBONBJ-UHFFFAOYSA-N
XLogP12.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167414887
N-[3-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 118087617
N-(3-bromo-5-carbazol-9-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine
CID 144888566
N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine
CID 168809354
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine
CID 58273929
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665
2-carbazol-9-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566092
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(3-phenylphenyl)-4-N-[9-(3-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
CID 177116835
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;9-phenylcarbazole
CID 158239659
N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 168809325
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine (CID 168809163) is 2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine is c1ccc(-c2cccc(N(c3cccc4ccccc34)c3c(-n4c5ccccc5c5ccccc54)ccc4ccccc34)c2)cc1.
What is the InChIKey of 2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine?
The InChIKey is QFHCJKKDRBONBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-2-14-31(15-3-1)34-19-12-20-35(30-34)45(40-27-13-18-32-16-4-6-21-36(32)40)44-37-22-7-5-17-33(37)28-29-43(44)46-41-25-10-8-23-38(41)39-24-9-11-26-42(39)46/h1-30H.
What are the key properties of 2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine?
2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine has a molecular weight of 586.74 g/mol, XLogP of 12.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 168809163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).