2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole

C30H18ClN3 — CID 139327726

IUPAC2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3c4cc(-c5nc(Cl)nc6ccccc56)ccc4ccc32)c([2H])c1[2H]
InChIInChI=1S/C30H18ClN3/c31-30-32-25-12-6-4-10-22(25)29(33-30)20-15-14-19-16-17-27-28(24(19)18-20)23-11-5-7-13-26(23)34(27)21-8-2-1-3-9-21/h1-18H/i1D,2D,3D,8D,9D
InChIKeyYPPRNSUTSKRIJL-NWCULCSXSA-N
MW460.98 g/mol
LogP8.20
Rot. Bonds2

About 2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole

2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole (PubChem CID 139327726) has the molecular formula C30H18ClN3 and a molecular weight of 460.98 g/mol. Its IUPAC name is 2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole.

Molecular Properties

Compound Name2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole
PubChem CID139327726
Molecular FormulaC30H18ClN3
Molecular Weight460.98 g/mol
Exact Mass460.15
IUPAC Name2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3c4cc(-c5nc(Cl)nc6ccccc56)ccc4ccc32)c([2H])c1[2H]
InChIInChI=1S/C30H18ClN3/c31-30-32-25-12-6-4-10-22(25)29(33-30)20-15-14-19-16-17-27-28(24(19)18-20)23-11-5-7-13-26(23)34(27)21-8-2-1-3-9-21/h1-18H/i1D,2D,3D,8D,9D
InChIKeyYPPRNSUTSKRIJL-NWCULCSXSA-N
XLogP8.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.98
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]quinazoline
CID 118545869
22-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597887
2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole
CID 139327758
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 71109102
10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241
3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 161462831
2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 171414552
12-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149729
22-(4-naphthalen-2-ylquinazolin-2-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597968
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile
CID 139327757
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole?
The IUPAC name of 2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole (CID 139327726) is 2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole.
What is the SMILES notation for 2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole?
The canonical SMILES for 2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3c4cc(-c5nc(Cl)nc6ccccc56)ccc4ccc32)c([2H])c1[2H].
What is the InChIKey of 2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole?
The InChIKey is YPPRNSUTSKRIJL-NWCULCSXSA-N. The full InChI is InChI=1S/C30H18ClN3/c31-30-32-25-12-6-4-10-22(25)29(33-30)20-15-14-19-16-17-27-28(24(19)18-20)23-11-5-7-13-26(23)34(27)21-8-2-1-3-9-21/h1-18H/i1D,2D,3D,8D,9D.
What are the key properties of 2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole?
2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole has a molecular weight of 460.98 g/mol, XLogP of 8.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole is sourced from PubChem (CID 139327726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).