9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole

C40H24N6 — CID 118487710

IUPAC9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole
SMILESc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cncnc4c3)ccc1n2-c1ccc2ncncc2c1
InChIInChI=1S/C40H24N6/c1-3-7-37-31(5-1)33-18-25(10-15-39(33)45(37)29-13-14-35-28(17-29)22-42-23-43-35)26-11-16-40-34(19-26)32-6-2-4-8-38(32)46(40)30-12-9-27-21-41-24-44-36(27)20-30/h1-24H
InChIKeyQHBOPBQORZIWIO-UHFFFAOYSA-N
MW588.67 g/mol
LogP9.43
Rot. Bonds3

About 9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole

9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole (PubChem CID 118487710) has the molecular formula C40H24N6 and a molecular weight of 588.67 g/mol. Its IUPAC name is 9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole
PubChem CID118487710
Molecular FormulaC40H24N6
Molecular Weight588.67 g/mol
Exact Mass588.21
IUPAC Name9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole
SMILESc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cncnc4c3)ccc1n2-c1ccc2ncncc2c1
InChIInChI=1S/C40H24N6/c1-3-7-37-31(5-1)33-18-25(10-15-39(33)45(37)29-13-14-35-28(17-29)22-42-23-43-35)26-11-16-40-34(19-26)32-6-2-4-8-38(32)46(40)30-12-9-27-21-41-24-44-36(27)20-30/h1-24H
InChIKeyQHBOPBQORZIWIO-UHFFFAOYSA-N
XLogP9.43
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
3-[9-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 118487701
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118487708
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
CID 101429712
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603

Frequently Asked Questions

What is the IUPAC name of 9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole?
The IUPAC name of 9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole (CID 118487710) is 9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole is c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cncnc4c3)ccc1n2-c1ccc2ncncc2c1.
What is the InChIKey of 9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole?
The InChIKey is QHBOPBQORZIWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6/c1-3-7-37-31(5-1)33-18-25(10-15-39(33)45(37)29-13-14-35-28(17-29)22-42-23-43-35)26-11-16-40-34(19-26)32-6-2-4-8-38(32)46(40)30-12-9-27-21-41-24-44-36(27)20-30/h1-24H.
What are the key properties of 9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole?
9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole has a molecular weight of 588.67 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole is sourced from PubChem (CID 118487710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).