[7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone

C51H33N3O2 — CID 71148020

IUPAC[7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone
SMILESCn1c2cc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2c2ccc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)cc21
InChIInChI=1S/C51H33N3O2/c1-52-48-30-34(50(55)32-12-10-14-36(28-32)53-44-20-6-2-16-38(44)39-17-3-7-21-45(39)53)24-26-42(48)43-27-25-35(31-49(43)52)51(56)33-13-11-15-37(29-33)54-46-22-8-4-18-40(46)41-19-5-9-23-47(41)54/h2-31H,1H3
InChIKeyVJUNRBQNKJSXHM-UHFFFAOYSA-N
MW719.84 g/mol
LogP11.99
Rot. Bonds6

About [7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone

[7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone (PubChem CID 71148020) has the molecular formula C51H33N3O2 and a molecular weight of 719.84 g/mol. Its IUPAC name is [7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone.

Molecular Properties

Compound Name[7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone
PubChem CID71148020
Molecular FormulaC51H33N3O2
Molecular Weight719.84 g/mol
Exact Mass719.26
IUPAC Name[7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone
SMILESCn1c2cc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2c2ccc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)cc21
InChIInChI=1S/C51H33N3O2/c1-52-48-30-34(50(55)32-12-10-14-36(28-32)53-44-20-6-2-16-38(44)39-17-3-7-21-45(39)53)24-26-42(48)43-27-25-35(31-49(43)52)51(56)33-13-11-15-37(29-33)54-46-22-8-4-18-40(46)41-19-5-9-23-47(41)54/h2-31H,1H3
InChIKeyVJUNRBQNKJSXHM-UHFFFAOYSA-N
XLogP11.99
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.84
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone?
The IUPAC name of [7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone (CID 71148020) is [7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone.
What is the SMILES notation for [7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone?
The canonical SMILES for [7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone is Cn1c2cc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2c2ccc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)cc21.
What is the InChIKey of [7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone?
The InChIKey is VJUNRBQNKJSXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O2/c1-52-48-30-34(50(55)32-12-10-14-36(28-32)53-44-20-6-2-16-38(44)39-17-3-7-21-45(39)53)24-26-42(48)43-27-25-35(31-49(43)52)51(56)33-13-11-15-37(29-33)54-46-22-8-4-18-40(46)41-19-5-9-23-47(41)54/h2-31H,1H3.
What are the key properties of [7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone?
[7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone has a molecular weight of 719.84 g/mol, XLogP of 11.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-carbazol-9-ylbenzoyl)-9-methylcarbazol-2-yl]-(3-carbazol-9-ylphenyl)methanone is sourced from PubChem (CID 71148020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).