2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile

C37H21ClN4 — CID 139327757

IUPAC2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile
SMILESN#Cc1cc(-c2nc(-c3ccc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3)c3ccccc3n2)ccc1Cl
InChIInChI=1S/C37H21ClN4/c38-31-18-15-25(21-26(31)22-39)37-40-32-12-6-4-10-29(32)36(41-37)24-14-17-28-23(20-24)16-19-34-35(28)30-11-5-7-13-33(30)42(34)27-8-2-1-3-9-27/h1-21H
InChIKeyYMKLRCOSZNXEPD-UHFFFAOYSA-N
MW557.06 g/mol
LogP9.74
Rot. Bonds3

About 2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile

2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile (PubChem CID 139327757) has the molecular formula C37H21ClN4 and a molecular weight of 557.06 g/mol. Its IUPAC name is 2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile.

Molecular Properties

Compound Name2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile
PubChem CID139327757
Molecular FormulaC37H21ClN4
Molecular Weight557.06 g/mol
Exact Mass556.15
IUPAC Name2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile
SMILESN#Cc1cc(-c2nc(-c3ccc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3)c3ccccc3n2)ccc1Cl
InChIInChI=1S/C37H21ClN4/c38-31-18-15-25(21-26(31)22-39)37-40-32-12-6-4-10-29(32)36(41-37)24-14-17-28-23(20-24)16-19-34-35(28)30-11-5-7-13-33(30)42(34)27-8-2-1-3-9-27/h1-21H
InChIKeyYMKLRCOSZNXEPD-UHFFFAOYSA-N
XLogP9.74
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.06
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl)-5-(2-phenylquinazolin-4-yl)benzonitrile
CID 170050439
9-[3-(4-naphthalen-2-ylquinazolin-2-yl)-4-phenylphenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134531489
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile
CID 152905214
12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 138533154
6-(3,5-diphenylphenyl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-6-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-(4-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 160793015
9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134509632
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
9-phenyl-14-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122437
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163668762
3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 166956013
9-phenyl-14-[5-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[7-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[8-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 161163997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile?
The IUPAC name of 2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile (CID 139327757) is 2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile.
What is the SMILES notation for 2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile?
The canonical SMILES for 2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile is N#Cc1cc(-c2nc(-c3ccc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3)c3ccccc3n2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile?
The InChIKey is YMKLRCOSZNXEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21ClN4/c38-31-18-15-25(21-26(31)22-39)37-40-32-12-6-4-10-29(32)36(41-37)24-14-17-28-23(20-24)16-19-34-35(28)30-11-5-7-13-33(30)42(34)27-8-2-1-3-9-27/h1-21H.
What are the key properties of 2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile?
2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile has a molecular weight of 557.06 g/mol, XLogP of 9.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(7-phenylbenzo[c]carbazol-3-yl)quinazolin-2-yl]benzonitrile is sourced from PubChem (CID 139327757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).