9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole

C46H29N — CID 90433357

IUPAC9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole
SMILESc1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)[nH]c5c7ccccc7ccc65)c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C46H29N/c1-3-13-34-29(10-1)12-9-19-35(34)31-20-22-32(23-21-31)44-38-15-5-7-17-40(38)45(41-18-8-6-16-39(41)44)33-25-26-37-42-27-24-30-11-2-4-14-36(30)46(42)47-43(37)28-33/h1-28,47H
InChIKeyLLILVZHLEZAQBX-UHFFFAOYSA-N
MW595.75 g/mol
LogP12.93
Rot. Bonds3

About 9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole

9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole (PubChem CID 90433357) has the molecular formula C46H29N and a molecular weight of 595.75 g/mol. Its IUPAC name is 9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole.

Molecular Properties

Compound Name9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole
PubChem CID90433357
Molecular FormulaC46H29N
Molecular Weight595.75 g/mol
Exact Mass595.23
IUPAC Name9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole
SMILESc1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)[nH]c5c7ccccc7ccc65)c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C46H29N/c1-3-13-34-29(10-1)12-9-19-35(34)31-20-22-32(23-21-31)44-38-15-5-7-17-40(38)45(41-18-8-6-16-39(41)44)33-25-26-37-42-27-24-30-11-2-4-14-36(30)46(42)47-43(37)28-33/h1-28,47H
InChIKeyLLILVZHLEZAQBX-UHFFFAOYSA-N
XLogP12.93
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.75
LogP ≤ 512.93
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-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
CID 90433739
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 160960650
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene
CID 159854260
9-(4-naphthalen-1-ylphenyl)-10-[3-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 58856435
9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 25112576
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832
8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
CID 90433601

Frequently Asked Questions

What is the IUPAC name of 9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole?
The IUPAC name of 9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole (CID 90433357) is 9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole.
What is the SMILES notation for 9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole?
The canonical SMILES for 9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole is c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)[nH]c5c7ccccc7ccc65)c5ccccc45)cc3)cccc2c1.
What is the InChIKey of 9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole?
The InChIKey is LLILVZHLEZAQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N/c1-3-13-34-29(10-1)12-9-19-35(34)31-20-22-32(23-21-31)44-38-15-5-7-17-40(38)45(41-18-8-6-16-39(41)44)33-25-26-37-42-27-24-30-11-2-4-14-36(30)46(42)47-43(37)28-33/h1-28,47H.
What are the key properties of 9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole?
9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole has a molecular weight of 595.75 g/mol, XLogP of 12.93, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole is sourced from PubChem (CID 90433357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).