9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole

C26H16ClN3 — CID 118667542

IUPAC9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole
SMILESClc1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc2ccccc12
InChIInChI=1S/C26H16ClN3/c27-25-21-9-1-4-10-22(21)28-26(29-25)17-13-15-18(16-14-17)30-23-11-5-2-7-19(23)20-8-3-6-12-24(20)30/h1-16H
InChIKeyJQEVJWVVWUCGRC-UHFFFAOYSA-N
MW405.89 g/mol
LogP7.05
Rot. Bonds2

About 9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole

9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole (PubChem CID 118667542) has the molecular formula C26H16ClN3 and a molecular weight of 405.89 g/mol. Its IUPAC name is 9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole
PubChem CID118667542
Molecular FormulaC26H16ClN3
Molecular Weight405.89 g/mol
Exact Mass405.10
IUPAC Name9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole
SMILESClc1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc2ccccc12
InChIInChI=1S/C26H16ClN3/c27-25-21-9-1-4-10-22(21)28-26(29-25)17-13-15-18(16-14-17)30-23-11-5-2-7-19(23)20-8-3-6-12-24(20)30/h1-16H
InChIKeyJQEVJWVVWUCGRC-UHFFFAOYSA-N
XLogP7.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
22-[4-[4,6-bis[4-(5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 88949847
3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
CID 126632833
9-[4-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425258
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole (CID 118667542) is 9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole is Clc1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc2ccccc12.
What is the InChIKey of 9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole?
The InChIKey is JQEVJWVVWUCGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16ClN3/c27-25-21-9-1-4-10-22(21)28-26(29-25)17-13-15-18(16-14-17)30-23-11-5-2-7-19(23)20-8-3-6-12-24(20)30/h1-16H.
What are the key properties of 9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole?
9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole has a molecular weight of 405.89 g/mol, XLogP of 7.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole is sourced from PubChem (CID 118667542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).