4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline

C52H36N2 — CID 59288178

IUPAC4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(Nc6ccc(-c7ccc(-c8ccc9ccccc9c8)cc7)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C52H36N2/c1-2-10-48(11-3-1)54-51-13-7-6-12-49(51)50-35-45(28-33-52(50)54)42-20-16-38(17-21-42)40-26-31-47(32-27-40)53-46-29-24-39(25-30-46)37-14-18-41(19-15-37)44-23-22-36-8-4-5-9-43(36)34-44/h1-35,53H
InChIKeyILYOIHZEVFRZCK-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.35
Rot. Bonds7

About 4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline

4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline (PubChem CID 59288178) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
PubChem CID59288178
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(Nc6ccc(-c7ccc(-c8ccc9ccccc9c8)cc7)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C52H36N2/c1-2-10-48(11-3-1)54-51-13-7-6-12-49(51)50-35-45(28-33-52(50)54)42-20-16-38(17-21-42)40-26-31-47(32-27-40)53-46-29-24-39(25-30-46)37-14-18-41(19-15-37)44-23-22-36-8-4-5-9-43(36)34-44/h1-35,53H
InChIKeyILYOIHZEVFRZCK-UHFFFAOYSA-N
XLogP14.35
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288183
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
9-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine
CID 59372433
2-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;3-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-naphthalen-2-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 158992655
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282038
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
N-(4-fluorophenyl)-4-(9-phenylcarbazol-3-yl)aniline
CID 59828035
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
ethane;N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 144861482
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline?
The IUPAC name of 4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline (CID 59288178) is 4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline.
What is the SMILES notation for 4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline?
The canonical SMILES for 4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(Nc6ccc(-c7ccc(-c8ccc9ccccc9c8)cc7)cc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of 4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline?
The InChIKey is ILYOIHZEVFRZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-2-10-48(11-3-1)54-51-13-7-6-12-49(51)50-35-45(28-33-52(50)54)42-20-16-38(17-21-42)40-26-31-47(32-27-40)53-46-29-24-39(25-30-46)37-14-18-41(19-15-37)44-23-22-36-8-4-5-9-43(36)34-44/h1-35,53H.
What are the key properties of 4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline?
4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline has a molecular weight of 688.87 g/mol, XLogP of 14.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 59288178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).