8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole

C46H29N — CID 90433601

IUPAC8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
SMILESc1cc(-c2ccc3[nH]c4c5ccccc5ccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C46H29N/c1-2-12-31-26-35(21-20-29(31)10-1)45-39-18-7-5-16-37(39)44(38-17-6-8-19-40(38)45)34-14-9-13-32(27-34)33-23-25-43-42(28-33)41-24-22-30-11-3-4-15-36(30)46(41)47-43/h1-28,47H
InChIKeyPBLXCOYMGVUTNJ-UHFFFAOYSA-N
MW595.75 g/mol
LogP12.93
Rot. Bonds3

About 8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole

8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole (PubChem CID 90433601) has the molecular formula C46H29N and a molecular weight of 595.75 g/mol. Its IUPAC name is 8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole.

Molecular Properties

Compound Name8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
PubChem CID90433601
Molecular FormulaC46H29N
Molecular Weight595.75 g/mol
Exact Mass595.23
IUPAC Name8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
SMILESc1cc(-c2ccc3[nH]c4c5ccccc5ccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C46H29N/c1-2-12-31-26-35(21-20-29(31)10-1)45-39-18-7-5-16-37(39)44(38-17-6-8-19-40(38)45)34-14-9-13-32(27-34)33-23-25-43-42(28-33)41-24-22-30-11-3-4-15-36(30)46(41)47-43/h1-28,47H
InChIKeyPBLXCOYMGVUTNJ-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

17-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 90433565
9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
CID 90433739
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606

Frequently Asked Questions

What is the IUPAC name of 8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole?
The IUPAC name of 8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole (CID 90433601) is 8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole.
What is the SMILES notation for 8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole?
The canonical SMILES for 8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole is c1cc(-c2ccc3[nH]c4c5ccccc5ccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.
What is the InChIKey of 8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole?
The InChIKey is PBLXCOYMGVUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N/c1-2-12-31-26-35(21-20-29(31)10-1)45-39-18-7-5-16-37(39)44(38-17-6-8-19-40(38)45)34-14-9-13-32(27-34)33-23-25-43-42(28-33)41-24-22-30-11-3-4-15-36(30)46(41)47-43/h1-28,47H.
What are the key properties of 8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole?
8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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 8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole is sourced from PubChem (CID 90433601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).