7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene

C37H23N5 — CID 159935777

IUPAC7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
SMILESc1ccc(-c2ccn3c(c2)nc2cc4c(cc23)c2ccccc2n4-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C37H23N5/c1-3-11-24(12-4-1)26-19-20-41-34-22-29-27-15-8-10-18-32(27)42(33(29)23-31(34)38-35(41)21-26)37-39-30-17-9-7-16-28(30)36(40-37)25-13-5-2-6-14-25/h1-23H
InChIKeyOAFSDLOABCECDW-UHFFFAOYSA-N
MW537.63 g/mol
LogP8.86
Rot. Bonds3

About 7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene

7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene (PubChem CID 159935777) has the molecular formula C37H23N5 and a molecular weight of 537.63 g/mol. Its IUPAC name is 7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene.

Molecular Properties

Compound Name7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
PubChem CID159935777
Molecular FormulaC37H23N5
Molecular Weight537.63 g/mol
Exact Mass537.20
IUPAC Name7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
SMILESc1ccc(-c2ccn3c(c2)nc2cc4c(cc23)c2ccccc2n4-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C37H23N5/c1-3-11-24(12-4-1)26-19-20-41-34-22-29-27-15-8-10-18-32(27)42(33(29)23-31(34)38-35(41)21-26)37-39-30-17-9-7-16-28(30)36(40-37)25-13-5-2-6-14-25/h1-23H
InChIKeyOAFSDLOABCECDW-UHFFFAOYSA-N
XLogP8.86
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.63
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene with MolForge

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Related Compounds

14-(4-naphthalen-2-ylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
CID 157316476
20-phenyl-16-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),5,7,9,12,14(19),15,17-nonaene
CID 160951061
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
10-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517569
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 90129291
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene?
The IUPAC name of 7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene (CID 159935777) is 7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene.
What is the SMILES notation for 7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene?
The canonical SMILES for 7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene is c1ccc(-c2ccn3c(c2)nc2cc4c(cc23)c2ccccc2n4-c2nc(-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene?
The InChIKey is OAFSDLOABCECDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N5/c1-3-11-24(12-4-1)26-19-20-41-34-22-29-27-15-8-10-18-32(27)42(33(29)23-31(34)38-35(41)21-26)37-39-30-17-9-7-16-28(30)36(40-37)25-13-5-2-6-14-25/h1-23H.
What are the key properties of 7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene?
7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene has a molecular weight of 537.63 g/mol, XLogP of 8.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene is sourced from PubChem (CID 159935777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).