11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene

C32H22N4 — CID 90231140

IUPAC11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
SMILESc1ccc(C2=NC(n3c4cc5[nH]ccc5cc4c4ccc5ccccc5c43)Nc3ccccc32)cc1
InChIInChI=1S/C32H22N4/c1-2-9-21(10-3-1)30-25-12-6-7-13-27(25)34-32(35-30)36-29-19-28-22(16-17-33-28)18-26(29)24-15-14-20-8-4-5-11-23(20)31(24)36/h1-19,32-34H
InChIKeyVQOSTGHUUWEJGD-UHFFFAOYSA-N
MW462.56 g/mol
LogP7.85
Rot. Bonds2

About 11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene

11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene (PubChem CID 90231140) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is 11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene.

Molecular Properties

Compound Name11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
PubChem CID90231140
Molecular FormulaC32H22N4
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC Name11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
SMILESc1ccc(C2=NC(n3c4cc5[nH]ccc5cc4c4ccc5ccccc5c43)Nc3ccccc32)cc1
InChIInChI=1S/C32H22N4/c1-2-9-21(10-3-1)30-25-12-6-7-13-27(25)34-32(35-30)36-29-19-28-22(16-17-33-28)18-26(29)24-15-14-20-8-4-5-11-23(20)31(24)36/h1-19,32-34H
InChIKeyVQOSTGHUUWEJGD-UHFFFAOYSA-N
XLogP7.85
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene with MolForge

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Related Compounds

15-phenyl-12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 168721281
12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 163718010
24-[4-(3,5-diphenylphenyl)-1,2-dihydroquinazolin-2-yl]-20-phenyl-20,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(14),2,4,6,8,10,12,15(23),16,18,21-undecaene
CID 90231149
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole
CID 129312385
11-phenyl-33-(4-phenyl-1,2-dihydroquinazolin-2-yl)-11,21,33-triazanonacyclo[19.10.1.113,16.02,14.04,12.05,10.015,20.022,27.028,32]tritriaconta-1(31),2(14),3,5,7,9,12,15(20),16,18,22,24,26,28(32),29-pentadecaene
CID 129199965
7-(4-naphtho[2,3-b][1]benzothiol-1-yl-1,2-dihydroquinazolin-2-yl)-10-phenylbenzo[c]carbazole
CID 156564448
3-(4,6-diphenyl-1,2-dihydroquinazolin-2-yl)-15,15-dimethyl-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 129295251
3-phenyl-5-[4-(3-phenylphenyl)-1,2-dihydroquinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 90076067
15-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.08,13.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene
CID 126700539
11-(7,7-dimethyl-1,2-dihydrobenzo[e]perimidin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]carbazol-8-amine
CID 146733707
12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155450575
15-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene
CID 129299062

Frequently Asked Questions

What is the IUPAC name of 11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?
The IUPAC name of 11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene (CID 90231140) is 11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene.
What is the SMILES notation for 11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?
The canonical SMILES for 11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene is c1ccc(C2=NC(n3c4cc5[nH]ccc5cc4c4ccc5ccccc5c43)Nc3ccccc32)cc1.
What is the InChIKey of 11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?
The InChIKey is VQOSTGHUUWEJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4/c1-2-9-21(10-3-1)30-25-12-6-7-13-27(25)34-32(35-30)36-29-19-28-22(16-17-33-28)18-26(29)24-15-14-20-8-4-5-11-23(20)31(24)36/h1-19,32-34H.
What are the key properties of 11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?
11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene has a molecular weight of 462.56 g/mol, XLogP of 7.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene is sourced from PubChem (CID 90231140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).