4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene

C38H24N4 — CID 144645631

IUPAC4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
SMILESc1ccc(-c2nc(-n3c4ccc5ccn(-c6ccccc6)c5c4c4ccc5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C38H24N4/c1-3-12-26(13-4-1)35-30-17-9-10-18-32(30)39-38(40-35)42-33-22-20-27-23-24-41(28-14-5-2-6-15-28)36(27)34(33)31-21-19-25-11-7-8-16-29(25)37(31)42/h1-24H
InChIKeyPJUJKTIVDTXPCH-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.49
Rot. Bonds3

About 4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene

4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene (PubChem CID 144645631) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene.

Molecular Properties

Compound Name4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
PubChem CID144645631
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
SMILESc1ccc(-c2nc(-n3c4ccc5ccn(-c6ccccc6)c5c4c4ccc5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C38H24N4/c1-3-12-26(13-4-1)35-30-17-9-10-18-32(30)39-38(40-35)42-33-22-20-27-23-24-41(28-14-5-2-6-15-28)36(27)34(33)31-21-19-25-11-7-8-16-29(25)37(31)42/h1-24H
InChIKeyPJUJKTIVDTXPCH-UHFFFAOYSA-N
XLogP9.49
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene with MolForge

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Related Compounds

1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole
CID 118317377
14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene
CID 90267141
1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole
CID 118317506
21,21,24,24-tetramethyl-28-phenyl-13-(4-phenylquinazolin-2-yl)-13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20(25),26-undecaene
CID 177086709
14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-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 135165926
3-phenyl-28-(4-phenylquinazolin-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 129149703
11-[4-(3,5-diphenylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 90231145
5-phenyl-27-(4-phenylquinazolin-2-yl)-3-thia-5,27-diazaheptacyclo[14.11.0.02,13.04,12.06,11.017,26.018,23]heptacosa-1(16),2(13),4(12),6,8,10,14,17(26),18,20,22,24-dodecaene
CID 118602345
1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole
CID 118317427
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene
CID 135264495
3-(4-phenylquinazolin-2-yl)-3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene
CID 118301095
11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 144645582

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene?
The IUPAC name of 4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene (CID 144645631) is 4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene.
What is the SMILES notation for 4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene?
The canonical SMILES for 4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene is c1ccc(-c2nc(-n3c4ccc5ccn(-c6ccccc6)c5c4c4ccc5ccccc5c43)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene?
The InChIKey is PJUJKTIVDTXPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-3-12-26(13-4-1)35-30-17-9-10-18-32(30)39-38(40-35)42-33-22-20-27-23-24-41(28-14-5-2-6-15-28)36(27)34(33)31-21-19-25-11-7-8-16-29(25)37(31)42/h1-24H.
What are the key properties of 4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene?
4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene has a molecular weight of 536.64 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene is sourced from PubChem (CID 144645631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).