9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole

C40H24N6 — CID 166905672

IUPAC9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncnc6ccccc56)ccc43)ncnc2c1
InChIInChI=1S/C40H24N6/c1-5-13-33-29(11-1)39(43-23-41-33)45-35-15-7-3-9-27(35)31-21-25(17-19-37(31)45)26-18-20-38-32(22-26)28-10-4-8-16-36(28)46(38)40-30-12-2-6-14-34(30)42-24-44-40/h1-24H
InChIKeyCQJUJDUSYUYIRN-UHFFFAOYSA-N
MW588.67 g/mol
LogP9.43
Rot. Bonds3

About 9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole

9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole (PubChem CID 166905672) has the molecular formula C40H24N6 and a molecular weight of 588.67 g/mol. Its IUPAC name is 9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole
PubChem CID166905672
Molecular FormulaC40H24N6
Molecular Weight588.67 g/mol
Exact Mass588.21
IUPAC Name9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncnc6ccccc56)ccc43)ncnc2c1
InChIInChI=1S/C40H24N6/c1-5-13-33-29(11-1)39(43-23-41-33)45-35-15-7-3-9-27(35)31-21-25(17-19-37(31)45)26-18-20-38-32(22-26)28-10-4-8-16-36(28)46(38)40-30-12-2-6-14-34(30)42-24-44-40/h1-24H
InChIKeyCQJUJDUSYUYIRN-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

3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
CID 126632833
3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118492932
8-phenyl-15-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8,10,12-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 126682696
9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 122627424
3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole
CID 135194976
9-quinazolin-6-yl-3-(9-quinazolin-7-ylcarbazol-3-yl)carbazole
CID 118487710
3-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 121263635
8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163792
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295

Frequently Asked Questions

What is the IUPAC name of 9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole?
The IUPAC name of 9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole (CID 166905672) is 9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole is c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncnc6ccccc56)ccc43)ncnc2c1.
What is the InChIKey of 9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole?
The InChIKey is CQJUJDUSYUYIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6/c1-5-13-33-29(11-1)39(43-23-41-33)45-35-15-7-3-9-27(35)31-21-25(17-19-37(31)45)26-18-20-38-32(22-26)28-10-4-8-16-36(28)46(38)40-30-12-2-6-14-34(30)42-24-44-40/h1-24H.
What are the key properties of 9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole?
9-quinazolin-4-yl-3-(9-quinazolin-4-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-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole is sourced from PubChem (CID 166905672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).