9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole

C52H35NO — CID 87156706

IUPAC9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3cc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)ccc23)cc1
InChIInChI=1S/C52H35NO/c1-32-18-22-34(23-19-32)50-41-12-3-4-13-42(41)51(35-24-20-33(2)21-25-35)46-31-37(27-28-43(46)50)53-47-16-7-5-10-39(47)45-30-36(26-29-48(45)53)38-14-9-15-44-40-11-6-8-17-49(40)54-52(38)44/h3-31H,1-2H3
InChIKeyQHGFJAFRZICQFP-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.61
Rot. Bonds4

About 9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole

9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole (PubChem CID 87156706) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole.

Molecular Properties

Compound Name9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
PubChem CID87156706
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC Name9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3cc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)ccc23)cc1
InChIInChI=1S/C52H35NO/c1-32-18-22-34(23-19-32)50-41-12-3-4-13-42(41)51(35-24-20-33(2)21-25-35)46-31-37(27-28-43(46)50)53-47-16-7-5-10-39(47)45-30-36(26-29-48(45)53)38-14-9-15-44-40-11-6-8-17-49(40)54-52(38)44/h3-31H,1-2H3
InChIKeyQHGFJAFRZICQFP-UHFFFAOYSA-N
XLogP14.61
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.61
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-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723
3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole
CID 87156900
3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 90180761
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
9-(4-dibenzofuran-4-ylphenyl)-3-methylcarbazole
CID 129128081
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156561

Frequently Asked Questions

What is the IUPAC name of 9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole?
The IUPAC name of 9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole (CID 87156706) is 9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole.
What is the SMILES notation for 9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole?
The canonical SMILES for 9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole is Cc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3cc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)ccc23)cc1.
What is the InChIKey of 9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole?
The InChIKey is QHGFJAFRZICQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-32-18-22-34(23-19-32)50-41-12-3-4-13-42(41)51(35-24-20-33(2)21-25-35)46-31-37(27-28-43(46)50)53-47-16-7-5-10-39(47)45-30-36(26-29-48(45)53)38-14-9-15-44-40-11-6-8-17-49(40)54-52(38)44/h3-31H,1-2H3.
What are the key properties of 9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole?
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole has a molecular weight of 689.86 g/mol, XLogP of 14.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole is sourced from PubChem (CID 87156706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).