4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole

C34H23N — CID 174595871

IUPAC4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole
SMILESc1ccc(-c2ccc3[nH]c4ccc(-c5ccccc5)c(-c5cccc6ccccc56)c4c3c2)cc1
InChIInChI=1S/C34H23N/c1-3-10-23(11-4-1)26-18-20-31-30(22-26)34-32(35-31)21-19-28(25-12-5-2-6-13-25)33(34)29-17-9-15-24-14-7-8-16-27(24)29/h1-22,35H
InChIKeyZPGZKKDGDOIMLH-UHFFFAOYSA-N
MW445.57 g/mol
LogP9.48
Rot. Bonds3

About 4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole

4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole (PubChem CID 174595871) has the molecular formula C34H23N and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole.

Molecular Properties

Compound Name4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole
PubChem CID174595871
Molecular FormulaC34H23N
Molecular Weight445.57 g/mol
Exact Mass445.18
IUPAC Name4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole
SMILESc1ccc(-c2ccc3[nH]c4ccc(-c5ccccc5)c(-c5cccc6ccccc56)c4c3c2)cc1
InChIInChI=1S/C34H23N/c1-3-10-23(11-4-1)26-18-20-31-30(22-26)34-32(35-31)21-19-28(25-12-5-2-6-13-25)33(34)29-17-9-15-24-14-7-8-16-27(24)29/h1-22,35H
InChIKeyZPGZKKDGDOIMLH-UHFFFAOYSA-N
XLogP9.48
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 59.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole
CID 146669504
4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 153492707
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
9-naphthalen-1-yl-10-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159990389
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
10-naphthalen-2-yl-7H-benzo[c]carbazole
CID 144640313
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole?
The IUPAC name of 4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole (CID 174595871) is 4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole.
What is the SMILES notation for 4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole?
The canonical SMILES for 4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole is c1ccc(-c2ccc3[nH]c4ccc(-c5ccccc5)c(-c5cccc6ccccc56)c4c3c2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole?
The InChIKey is ZPGZKKDGDOIMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N/c1-3-10-23(11-4-1)26-18-20-31-30(22-26)34-32(35-31)21-19-28(25-12-5-2-6-13-25)33(34)29-17-9-15-24-14-7-8-16-27(24)29/h1-22,35H.
What are the key properties of 4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole?
4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole has a molecular weight of 445.57 g/mol, XLogP of 9.48, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole is sourced from PubChem (CID 174595871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).