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

C54H34N4 — CID 134531489

IUPAC9-[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
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc2-c2nc(-c3ccc4ccccc4c3)c3ccccc3n2)cc1
InChIInChI=1S/C54H34N4/c1-3-16-36(17-4-1)41-30-29-40(34-45(41)54-55-46-24-12-9-21-42(46)53(56-54)38-28-27-35-15-7-8-18-37(35)33-38)58-48-26-14-11-23-44(48)52-50(58)32-31-49-51(52)43-22-10-13-25-47(43)57(49)39-19-5-2-6-20-39/h1-34H
InChIKeyNUAFFERVTJCZSZ-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.98
Rot. Bonds5

About 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

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 (PubChem CID 134531489) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID134531489
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name9-[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
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc2-c2nc(-c3ccc4ccccc4c3)c3ccccc3n2)cc1
InChIInChI=1S/C54H34N4/c1-3-16-36(17-4-1)41-30-29-40(34-45(41)54-55-46-24-12-9-21-42(46)53(56-54)38-28-27-35-15-7-8-18-37(35)33-38)58-48-26-14-11-23-44(48)52-50(58)32-31-49-51(52)43-22-10-13-25-47(43)57(49)39-19-5-2-6-20-39/h1-34H
InChIKeyNUAFFERVTJCZSZ-UHFFFAOYSA-N
XLogP13.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-phenyl-12H-indeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-12-phenylindolo[3,2-c]carbazole;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;9-phenyl-14-[4-phenyl-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 162039924
3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole
CID 169294734
3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 139315826
14-(4-phenylphenyl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165955
9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-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
CID 156531272
3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 139315614
9-(4,8-diphenylquinazolin-2-yl)-14-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-(4,8-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-naphthalen-2-yl-8-phenylquinazolin-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
CID 160718074
9-(3,5-diphenylphenyl)-14-[4-(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 135166119
1-carbazol-9-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 159738156
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc2-c2nc(-c3ccc4ccccc4c3)c3ccccc3n2)cc1.
What is the InChIKey of 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?
The InChIKey is NUAFFERVTJCZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-3-16-36(17-4-1)41-30-29-40(34-45(41)54-55-46-24-12-9-21-42(46)53(56-54)38-28-27-35-15-7-8-18-37(35)33-38)58-48-26-14-11-23-44(48)52-50(58)32-31-49-51(52)43-22-10-13-25-47(43)57(49)39-19-5-2-6-20-39/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 738.89 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134531489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).