10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole

C42H25FN4 — CID 71109094

IUPAC10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESFc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C42H25FN4/c43-28-20-23-38-34(25-28)40-30-13-5-4-10-26(30)18-22-39(40)47(38)42-44-35-16-8-6-15-32(35)41(45-42)27-19-21-37-33(24-27)31-14-7-9-17-36(31)46(37)29-11-2-1-3-12-29/h1-25H
InChIKeyVARZSXHNJAYXPZ-UHFFFAOYSA-N
MW604.69 g/mol
LogP10.78
Rot. Bonds3

About 10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole

10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 71109094) has the molecular formula C42H25FN4 and a molecular weight of 604.69 g/mol. Its IUPAC name is 10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID71109094
Molecular FormulaC42H25FN4
Molecular Weight604.69 g/mol
Exact Mass604.21
IUPAC Name10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESFc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C42H25FN4/c43-28-20-23-38-34(25-28)40-30-13-5-4-10-26(30)18-22-39(40)47(38)42-44-35-16-8-6-15-32(35)41(45-42)27-19-21-37-33(24-27)31-14-7-9-17-36(31)46(37)29-11-2-1-3-12-29/h1-25H
InChIKeyVARZSXHNJAYXPZ-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 10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole (CID 71109094) is 10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole is Fc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is VARZSXHNJAYXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25FN4/c43-28-20-23-38-34(25-28)40-30-13-5-4-10-26(30)18-22-39(40)47(38)42-44-35-16-8-6-15-32(35)41(45-42)27-19-21-37-33(24-27)31-14-7-9-17-36(31)46(37)29-11-2-1-3-12-29/h1-25H.
What are the key properties of 10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
10-fluoro-7-[4-(9-phenylcarbazol-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 10-fluoro-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 71109094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).