7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole

C42H25FN4 — CID 71109089

IUPAC7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESFc1ccc2c(c1)c1cc(-c3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc4ccccc34)ccc1n2-c1ccccc1
InChIInChI=1S/C42H25FN4/c43-28-20-23-38-34(25-28)33-24-27(19-21-37(33)46(38)29-11-2-1-3-12-29)41-31-14-6-8-16-35(31)44-42(45-41)47-36-17-9-7-15-32(36)40-30-13-5-4-10-26(30)18-22-39(40)47/h1-25H
InChIKeyZJUXESKVRAULIQ-UHFFFAOYSA-N
MW604.69 g/mol
LogP10.78
Rot. Bonds3

About 7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole

7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 71109089) has the molecular formula C42H25FN4 and a molecular weight of 604.69 g/mol. Its IUPAC name is 7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID71109089
Molecular FormulaC42H25FN4
Molecular Weight604.69 g/mol
Exact Mass604.21
IUPAC Name7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESFc1ccc2c(c1)c1cc(-c3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc4ccccc34)ccc1n2-c1ccccc1
InChIInChI=1S/C42H25FN4/c43-28-20-23-38-34(25-28)33-24-27(19-21-37(33)46(38)29-11-2-1-3-12-29)41-31-14-6-8-16-35(31)44-42(45-41)47-36-17-9-7-15-32(36)40-30-13-5-4-10-26(30)18-22-39(40)47/h1-25H
InChIKeyZJUXESKVRAULIQ-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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Related Compounds

N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine
CID 149250309
1-(4-Fluorophenyl)-2-methyl-8-naphthalen-2-ylimidazo[4,5-c]quinoline
CID 168289126
Dextranase
CID 167312536
9-Methyl-3-[1-(2-methylquinazolin-4-yl)ethenyl]carbazole
CID 155538604
9-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9H-carbazole
CID 23527810
9-(3-(9H-Carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-9H-carbazole
CID 58943284
9-(4-(4,6-diphenyl-1,3,5-triazin-2-yl) phenyl)-N3, N3, N6, N6-tetraphenyl-9H-carbazole-3,6-diamine
CID 90211147
9-(3-(4-(3,5-Di(9H-carbazol-9-yl)phenyl)-6-phenyl-1,3,5-triazin-2-yl)-5-(9H-carbazol-9-yl)phenyl)-9H-carbazole
CID 102593214
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl)tris(9H-carbazole)
CID 118424868
9-(4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl)-3,6-dimethyl-9H-carbazole
CID 118670814
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl) tris(3,6-dimethyl-9H-carbazole)
CID 122212559
4-(3,4-Difluorophenyl)-6-(9-methyl-9H-carbazol-3-yl)-pyrimidin-2-amine (5g)
CID 78210051

Frequently Asked Questions

What is the IUPAC name of 7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole (CID 71109089) is 7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole is Fc1ccc2c(c1)c1cc(-c3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc4ccccc34)ccc1n2-c1ccccc1.
What is the InChIKey of 7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is ZJUXESKVRAULIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25FN4/c43-28-20-23-38-34(25-28)33-24-27(19-21-37(33)46(38)29-11-2-1-3-12-29)41-31-14-6-8-16-35(31)44-42(45-41)47-36-17-9-7-15-32(36)40-30-13-5-4-10-26(30)18-22-39(40)47/h1-25H.
What are the key properties of 7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
7-[4-(6-fluoro-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 7-[4-(6-fluoro-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 71109089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).