2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole

C42H27N — CID 90433276

IUPAC2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5[nH]c6cc7ccccc7cc6c5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C42H27N/c1-2-10-27(11-3-1)28-18-20-29(21-19-28)41-33-14-6-8-16-35(33)42(36-17-9-7-15-34(36)41)32-22-23-39-37(25-32)38-24-30-12-4-5-13-31(30)26-40(38)43-39/h1-26,43H
InChIKeyKDPFHVFYWPEYIL-UHFFFAOYSA-N
MW545.69 g/mol
LogP11.78
Rot. Bonds3

About 2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole

2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole (PubChem CID 90433276) has the molecular formula C42H27N and a molecular weight of 545.69 g/mol. Its IUPAC name is 2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole.

Molecular Properties

Compound Name2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole
PubChem CID90433276
Molecular FormulaC42H27N
Molecular Weight545.69 g/mol
Exact Mass545.21
IUPAC Name2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5[nH]c6cc7ccccc7cc6c5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C42H27N/c1-2-10-27(11-3-1)28-18-20-29(21-19-28)41-33-14-6-8-16-35(33)42(36-17-9-7-15-34(36)41)32-22-23-39-37(25-32)38-24-30-12-4-5-13-31(30)26-40(38)43-39/h1-26,43H
InChIKeyKDPFHVFYWPEYIL-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

5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole
CID 163742367
3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole
CID 146669504
8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
CID 90433601
3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole
CID 90433316
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
3-(3,5-diphenylphenyl)-6-phenyl-9H-carbazole
CID 176723947
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
6,13-bis(4-phenylphenyl)pentacene;ruthenium
CID 161148956
9H-carbazole;9,10-diphenylanthracene
CID 159841164
3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 118503421

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole?
The IUPAC name of 2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole (CID 90433276) is 2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole.
What is the SMILES notation for 2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole?
The canonical SMILES for 2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5[nH]c6cc7ccccc7cc6c5c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole?
The InChIKey is KDPFHVFYWPEYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N/c1-2-10-27(11-3-1)28-18-20-29(21-19-28)41-33-14-6-8-16-35(33)42(36-17-9-7-15-34(36)41)32-22-23-39-37(25-32)38-24-30-12-4-5-13-31(30)26-40(38)43-39/h1-26,43H.
What are the key properties of 2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole?
2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]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 2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole is sourced from PubChem (CID 90433276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).