9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole

C42H27N — CID 90433739

IUPAC9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5c(c4)[nH]c4c6ccccc6ccc54)c3)c3ccccc23)cc1
InChIInChI=1S/C42H27N/c1-2-12-28(13-3-1)40-34-17-6-8-19-36(34)41(37-20-9-7-18-35(37)40)31-15-10-14-29(25-31)30-22-23-33-38-24-21-27-11-4-5-16-32(27)42(38)43-39(33)26-30/h1-26,43H
InChIKeyLHUZCKGDDDIACL-UHFFFAOYSA-N
MW545.69 g/mol
LogP11.78
Rot. Bonds3

About 9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole

9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole (PubChem CID 90433739) has the molecular formula C42H27N and a molecular weight of 545.69 g/mol. Its IUPAC name is 9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole.

Molecular Properties

Compound Name9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
PubChem CID90433739
Molecular FormulaC42H27N
Molecular Weight545.69 g/mol
Exact Mass545.21
IUPAC Name9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5c(c4)[nH]c4c6ccccc6ccc54)c3)c3ccccc23)cc1
InChIInChI=1S/C42H27N/c1-2-12-28(13-3-1)40-34-17-6-8-19-36(34)41(37-20-9-7-18-35(37)40)31-15-10-14-29(25-31)30-22-23-33-38-24-21-27-11-4-5-16-32(27)42(38)43-39(33)26-30/h1-26,43H
InChIKeyLHUZCKGDDDIACL-UHFFFAOYSA-N
XLogP11.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 511.78
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-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole
CID 90433357
8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
CID 90433601
18-[3-[10-(3-phenylphenyl)anthracen-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 90433283
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-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706350
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
2-(3-phenylphenyl)-9H-carbazole
CID 135143847
18-(10-phenanthren-3-ylanthracen-9-yl)-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 144703490

Frequently Asked Questions

What is the IUPAC name of 9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole?
The IUPAC name of 9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole (CID 90433739) is 9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole.
What is the SMILES notation for 9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole?
The canonical SMILES for 9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole is c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5c(c4)[nH]c4c6ccccc6ccc54)c3)c3ccccc23)cc1.
What is the InChIKey of 9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole?
The InChIKey is LHUZCKGDDDIACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N/c1-2-12-28(13-3-1)40-34-17-6-8-19-36(34)41(37-20-9-7-18-35(37)40)31-15-10-14-29(25-31)30-22-23-33-38-24-21-27-11-4-5-16-32(27)42(38)43-39(33)26-30/h1-26,43H.
What are the key properties of 9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole?
9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole has a molecular weight of 545.69 g/mol, XLogP of 11.78, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(10-phenylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole is sourced from PubChem (CID 90433739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).