8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole

C53H35N3O — CID 67701693

IUPAC8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6oc7ccccc7c6c5)ccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)c3c21
InChIInChI=1S/C53H35N3O/c1-53(2)44-17-9-6-14-37(44)39-26-27-40-42-30-35(36-25-29-48-43(31-36)38-15-8-11-19-47(38)57-48)24-28-46(42)56(51(40)49(39)53)52-54-45-18-10-7-16-41(45)50(55-52)34-22-20-33(21-23-34)32-12-4-3-5-13-32/h3-31H,1-2H3
InChIKeyPYMWFYDFDOHEQO-UHFFFAOYSA-N
MW729.88 g/mol
LogP13.93
Rot. Bonds4

About 8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole

8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole (PubChem CID 67701693) has the molecular formula C53H35N3O and a molecular weight of 729.88 g/mol. Its IUPAC name is 8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole.

Molecular Properties

Compound Name8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole
PubChem CID67701693
Molecular FormulaC53H35N3O
Molecular Weight729.88 g/mol
Exact Mass729.28
IUPAC Name8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6oc7ccccc7c6c5)ccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)c3c21
InChIInChI=1S/C53H35N3O/c1-53(2)44-17-9-6-14-37(44)39-26-27-40-42-30-35(36-25-29-48-43(31-36)38-15-8-11-19-47(38)57-48)24-28-46(42)56(51(40)49(39)53)52-54-45-18-10-7-16-41(45)50(55-52)34-22-20-33(21-23-34)32-12-4-3-5-13-32/h3-31H,1-2H3
InChIKeyPYMWFYDFDOHEQO-UHFFFAOYSA-N
XLogP13.93
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole?
The IUPAC name of 8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole (CID 67701693) is 8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole.
What is the SMILES notation for 8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole?
The canonical SMILES for 8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6oc7ccccc7c6c5)ccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)c3c21.
What is the InChIKey of 8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole?
The InChIKey is PYMWFYDFDOHEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O/c1-53(2)44-17-9-6-14-37(44)39-26-27-40-42-30-35(36-25-29-48-43(31-36)38-15-8-11-19-47(38)57-48)24-28-46(42)56(51(40)49(39)53)52-54-45-18-10-7-16-41(45)50(55-52)34-22-20-33(21-23-34)32-12-4-3-5-13-32/h3-31H,1-2H3.
What are the key properties of 8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole?
8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole has a molecular weight of 729.88 g/mol, XLogP of 13.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole is sourced from PubChem (CID 67701693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).