4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C46H32N2 — CID 59282038

IUPAC4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(Nc5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C46H32N2/c1-2-11-40(12-3-1)48-45-16-7-6-14-43(45)44-31-37(25-30-46(44)48)34-23-28-39(29-24-34)47-38-26-21-33(22-27-38)32-17-19-36(20-18-32)42-15-8-10-35-9-4-5-13-41(35)42/h1-31,47H
InChIKeyJCNOVIVNOZVOEM-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.68
Rot. Bonds6

About 4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 59282038) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID59282038
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(Nc5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C46H32N2/c1-2-11-40(12-3-1)48-45-16-7-6-14-43(45)44-31-37(25-30-46(44)48)34-23-28-39(29-24-34)47-38-26-21-33(22-27-38)32-17-19-36(20-18-32)42-15-8-10-35-9-4-5-13-41(35)42/h1-31,47H
InChIKeyJCNOVIVNOZVOEM-UHFFFAOYSA-N
XLogP12.68
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288183
4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 59288178
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole
CID 129041123
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158169511
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)carbazole
CID 177074694
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of 4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 59282038) is 4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for 4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for 4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3cc(-c4ccc(Nc5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of 4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is JCNOVIVNOZVOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-2-11-40(12-3-1)48-45-16-7-6-14-43(45)44-31-37(25-30-46(44)48)34-23-28-39(29-24-34)47-38-26-21-33(22-27-38)32-17-19-36(20-18-32)42-15-8-10-35-9-4-5-13-41(35)42/h1-31,47H.
What are the key properties of 4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 612.78 g/mol, XLogP of 12.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 59282038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).