9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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

C49H32N4 — CID 170201969

IUPAC9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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
SMILESCc1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)c6ccc(-c7ccccc7)cc6n5)c4ccc32)cc1
InChIInChI=1S/C49H32N4/c1-31-19-24-37(25-20-31)52-42-17-9-7-15-39(42)46-44(52)27-28-45-47(46)40-16-8-10-18-43(40)53(45)49-50-41-30-35(32-11-3-2-4-12-32)23-26-38(41)48(51-49)36-22-21-33-13-5-6-14-34(33)29-36/h2-30H,1H3
InChIKeyWRURMXMLPQRWTG-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.62
Rot. Bonds4

About 9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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 (PubChem CID 170201969) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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.

Molecular Properties

Compound Name9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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
PubChem CID170201969
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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
SMILESCc1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)c6ccc(-c7ccccc7)cc6n5)c4ccc32)cc1
InChIInChI=1S/C49H32N4/c1-31-19-24-37(25-20-31)52-42-17-9-7-15-39(42)46-44(52)27-28-45-47(46)40-16-8-10-18-43(40)53(45)49-50-41-30-35(32-11-3-2-4-12-32)23-26-38(41)48(51-49)36-22-21-33-13-5-6-14-34(33)29-36/h2-30H,1H3
InChIKeyWRURMXMLPQRWTG-UHFFFAOYSA-N
XLogP12.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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 with MolForge

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Related Compounds

9-(4-methylphenyl)-14-[7-phenyl-4-(4-phenylphenyl)quinazolin-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 170201968
9-(4,6-diphenylquinazolin-2-yl)-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;9-(4,7-diphenylquinazolin-2-yl)-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;9-(4,6-diphenylquinazolin-2-yl)-14-(4-phenylphenyl)-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-(4,7-diphenylquinazolin-2-yl)-14-(4-phenylphenyl)-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 157258726
3-carbazol-9-yl-9-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)carbazole;3-carbazol-9-yl-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;3-carbazol-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 167583458
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
6-[6-[14-(4-naphthalen-2-ylquinazolin-2-yl)-18-[4-[2-(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-nonaen-9-yl)-4-(4-phenylphenyl)quinazolin-7-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]naphthalen-1-yl]-9-phenyl-14-[6-phenyl-4-(4-phenylphenyl)quinazolin-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 167209938
12-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361469
14-phenyl-9-[4-(3-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165864
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
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
7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637738
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
3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 130350871

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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?
The IUPAC name of 9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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 170201969) is 9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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.
What is the SMILES notation for 9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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?
The canonical SMILES for 9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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 is Cc1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)c6ccc(-c7ccccc7)cc6n5)c4ccc32)cc1.
What is the InChIKey of 9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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?
The InChIKey is WRURMXMLPQRWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-31-19-24-37(25-20-31)52-42-17-9-7-15-39(42)46-44(52)27-28-45-47(46)40-16-8-10-18-43(40)53(45)49-50-41-30-35(32-11-3-2-4-12-32)23-26-38(41)48(51-49)36-22-21-33-13-5-6-14-34(33)29-36/h2-30H,1H3.
What are the key properties of 9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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 has a molecular weight of 676.82 g/mol, XLogP of 12.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-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 is sourced from PubChem (CID 170201969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).