4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene

C32H20N6 — CID 153391235

IUPAC4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene
SMILESc1ccc(-c2nc(-n3c(-c4ccccc4)nc4ccn5c6ccccc6nc5c43)nc3ccccc23)cc1
InChIInChI=1S/C32H20N6/c1-3-11-21(12-4-1)28-23-15-7-8-16-24(23)35-32(36-28)38-29-26(34-30(38)22-13-5-2-6-14-22)19-20-37-27-18-10-9-17-25(27)33-31(29)37/h1-20H
InChIKeyBTAFQPWQLXHJIK-UHFFFAOYSA-N
MW488.55 g/mol
LogP7.10
Rot. Bonds3

About 4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene

4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene (PubChem CID 153391235) has the molecular formula C32H20N6 and a molecular weight of 488.55 g/mol. Its IUPAC name is 4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene.

Molecular Properties

Compound Name4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene
PubChem CID153391235
Molecular FormulaC32H20N6
Molecular Weight488.55 g/mol
Exact Mass488.17
IUPAC Name4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene
SMILESc1ccc(-c2nc(-n3c(-c4ccccc4)nc4ccn5c6ccccc6nc5c43)nc3ccccc23)cc1
InChIInChI=1S/C32H20N6/c1-3-11-21(12-4-1)28-23-15-7-8-16-24(23)35-32(36-28)38-29-26(34-30(38)22-13-5-2-6-14-22)19-20-37-27-18-10-9-17-25(27)33-31(29)37/h1-20H
InChIKeyBTAFQPWQLXHJIK-UHFFFAOYSA-N
XLogP7.10
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene with MolForge

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Related Compounds

4-phenyl-2-(3,10,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-20-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 153391188
4,5-diphenyl-15-(4-phenylquinazolin-2-yl)-4,6,15-triazahexacyclo[11.11.0.02,10.03,7.014,22.016,21]tetracosa-1(13),2(10),3(7),5,8,11,14(22),16,18,20,23-undecaene
CID 164589066
4,6-diphenyl-3,5,10,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
CID 163388415
3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene
CID 177077200
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
9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672648
13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene
CID 146300919
21,23-diphenyl-3-(4-phenylquinazolin-2-yl)-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene
CID 162483659
9-phenyl-25-(4-phenylquinazolin-2-yl)-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene
CID 140913954
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
9,15-diphenyl-12-(4-phenylquinazolin-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 131999013
10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole
CID 139407423

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene?
The IUPAC name of 4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene (CID 153391235) is 4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene.
What is the SMILES notation for 4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene?
The canonical SMILES for 4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene is c1ccc(-c2nc(-n3c(-c4ccccc4)nc4ccn5c6ccccc6nc5c43)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene?
The InChIKey is BTAFQPWQLXHJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N6/c1-3-11-21(12-4-1)28-23-15-7-8-16-24(23)35-32(36-28)38-29-26(34-30(38)22-13-5-2-6-14-22)19-20-37-27-18-10-9-17-25(27)33-31(29)37/h1-20H.
What are the key properties of 4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene?
4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene has a molecular weight of 488.55 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene is sourced from PubChem (CID 153391235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).