9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole

C44H30N2 — CID 90249694

IUPAC9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1c2ccccc2c(-c2ccc(-c3ccccn3)cc2)c2ccccc12
InChIInChI=1S/C44H30N2/c1-29-28-32(46-41-19-8-6-12-34(41)35-13-7-9-20-42(35)46)25-26-33(29)44-38-16-4-2-14-36(38)43(37-15-3-5-17-39(37)44)31-23-21-30(22-24-31)40-18-10-11-27-45-40/h2-28H,1H3
InChIKeyAHFRJEAXZBXBIW-UHFFFAOYSA-N
MW586.74 g/mol
LogP11.79
Rot. Bonds4

About 9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole

9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole (PubChem CID 90249694) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole
PubChem CID90249694
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC Name9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1c2ccccc2c(-c2ccc(-c3ccccn3)cc2)c2ccccc12
InChIInChI=1S/C44H30N2/c1-29-28-32(46-41-19-8-6-12-34(41)35-13-7-9-20-42(35)46)25-26-33(29)44-38-16-4-2-14-36(38)43(37-15-3-5-17-39(37)44)31-23-21-30(22-24-31)40-18-10-11-27-45-40/h2-28H,1H3
InChIKeyAHFRJEAXZBXBIW-UHFFFAOYSA-N
XLogP11.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
CID 155770026
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole
CID 59221065
2-methyl-1-[3-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 170236086
[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane
CID 132545707
9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991790
9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 88557862
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 89119653
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
CID 144541414
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 158559186

Frequently Asked Questions

What is the IUPAC name of 9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole (CID 90249694) is 9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole is Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1c2ccccc2c(-c2ccc(-c3ccccn3)cc2)c2ccccc12.
What is the InChIKey of 9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole?
The InChIKey is AHFRJEAXZBXBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-29-28-32(46-41-19-8-6-12-34(41)35-13-7-9-20-42(35)46)25-26-33(29)44-38-16-4-2-14-36(38)43(37-15-3-5-17-39(37)44)31-23-21-30(22-24-31)40-18-10-11-27-45-40/h2-28H,1H3.
What are the key properties of 9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole?
9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 586.74 g/mol, XLogP of 11.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 90249694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).