7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole

C42H25FN4 — CID 71109040

IUPAC7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5ccccc45)ccc32)cc1
InChIInChI=1S/C42H25FN4/c43-28-19-21-29(22-20-28)46-36-15-7-4-11-31(36)34-25-27(18-23-38(34)46)41-32-12-3-6-14-35(32)44-42(45-41)47-37-16-8-5-13-33(37)40-30-10-2-1-9-26(30)17-24-39(40)47/h1-25H
InChIKeyZJZCIZZLMJAAJC-UHFFFAOYSA-N
MW604.69 g/mol
LogP10.78
Rot. Bonds3

About 7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole

7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole (PubChem CID 71109040) has the molecular formula C42H25FN4 and a molecular weight of 604.69 g/mol. Its IUPAC name is 7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole
PubChem CID71109040
Molecular FormulaC42H25FN4
Molecular Weight604.69 g/mol
Exact Mass604.21
IUPAC Name7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5ccccc45)ccc32)cc1
InChIInChI=1S/C42H25FN4/c43-28-19-21-29(22-20-28)46-36-15-7-4-11-31(36)34-25-27(18-23-38(34)46)41-32-12-3-6-14-35(32)44-42(45-41)47-37-16-8-5-13-33(37)40-30-10-2-1-9-26(30)17-24-39(40)47/h1-25H
InChIKeyZJZCIZZLMJAAJC-UHFFFAOYSA-N
XLogP10.78
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.69
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole (CID 71109040) is 7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole is Fc1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5ccccc45)ccc32)cc1.
What is the InChIKey of 7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is ZJZCIZZLMJAAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25FN4/c43-28-19-21-29(22-20-28)46-36-15-7-4-11-31(36)34-25-27(18-23-38(34)46)41-32-12-3-6-14-35(32)44-42(45-41)47-37-16-8-5-13-33(37)40-30-10-2-1-9-26(30)17-24-39(40)47/h1-25H.
What are the key properties of 7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole?
7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole has a molecular weight of 604.69 g/mol, XLogP of 10.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[9-(4-fluorophenyl)carbazol-3-yl]quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 71109040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).