3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole

C48H31N — CID 146669504

IUPAC3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole
SMILESc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc(-c5ccc6[nH]c7ccccc7c6c5)c4)c3c2)cc1
InChIInChI=1S/C48H31N/c1-2-12-31(13-3-1)34-24-26-42-44(30-34)47(40-20-6-7-21-41(40)48(42)39-22-11-15-32-14-4-5-18-37(32)39)36-17-10-16-33(28-36)35-25-27-46-43(29-35)38-19-8-9-23-45(38)49-46/h1-30,49H
InChIKeyQKAYLJQNAAZGLU-UHFFFAOYSA-N
MW621.78 g/mol
LogP13.45
Rot. Bonds4

About 3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole

3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole (PubChem CID 146669504) has the molecular formula C48H31N and a molecular weight of 621.78 g/mol. Its IUPAC name is 3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole
PubChem CID146669504
Molecular FormulaC48H31N
Molecular Weight621.78 g/mol
Exact Mass621.25
IUPAC Name3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole
SMILESc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc(-c5ccc6[nH]c7ccccc7c6c5)c4)c3c2)cc1
InChIInChI=1S/C48H31N/c1-2-12-31(13-3-1)34-24-26-42-44(30-34)47(40-20-6-7-21-41(40)48(42)39-22-11-15-32-14-4-5-18-37(32)39)36-17-10-16-33(28-36)35-25-27-46-43(29-35)38-19-8-9-23-45(38)49-46/h1-30,49H
InChIKeyQKAYLJQNAAZGLU-UHFFFAOYSA-N
XLogP13.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.78
LogP ≤ 513.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
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
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045

Frequently Asked Questions

What is the IUPAC name of 3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole?
The IUPAC name of 3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole (CID 146669504) is 3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole.
What is the SMILES notation for 3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole?
The canonical SMILES for 3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole is c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc(-c5ccc6[nH]c7ccccc7c6c5)c4)c3c2)cc1.
What is the InChIKey of 3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole?
The InChIKey is QKAYLJQNAAZGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N/c1-2-12-31(13-3-1)34-24-26-42-44(30-34)47(40-20-6-7-21-41(40)48(42)39-22-11-15-32-14-4-5-18-37(32)39)36-17-10-16-33(28-36)35-25-27-46-43(29-35)38-19-8-9-23-45(38)49-46/h1-30,49H.
What are the key properties of 3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole?
3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole has a molecular weight of 621.78 g/mol, XLogP of 13.45, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole is sourced from PubChem (CID 146669504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).