14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

C44H29N3 — CID 118216060

IUPAC14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4-c4ccccc4-5)nc4ccccc34)cc2)cc1
InChIInChI=1S/C44H29N3/c1-3-13-30(14-4-1)31-23-25-32(26-24-31)43-39-20-9-11-21-40(39)45-44(46-43)33-27-28-38-36-18-8-7-17-35(36)37-19-10-12-22-41(37)47(42(38)29-33)34-15-5-2-6-16-34/h1-29H
InChIKeyOWWGRRIPGSPWMF-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.75
Rot. Bonds4

About 14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (PubChem CID 118216060) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

Molecular Properties

Compound Name14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
PubChem CID118216060
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4-c4ccccc4-5)nc4ccccc34)cc2)cc1
InChIInChI=1S/C44H29N3/c1-3-13-30(14-4-1)31-23-25-32(26-24-31)43-39-20-9-11-21-40(39)45-44(46-43)33-27-28-38-36-18-8-7-17-35(36)37-19-10-12-22-41(37)47(42(38)29-33)34-15-5-2-6-16-34/h1-29H
InChIKeyOWWGRRIPGSPWMF-UHFFFAOYSA-N
XLogP11.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14-phenyl-11-(4-phenylquinazolin-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216067
14-phenyl-10-(4-phenylquinazolin-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216167
8,14,22-triphenyl-5-[4-(4-phenylquinazolin-2-yl)phenyl]-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 153293400
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
5-phenyl-11-[2-phenyl-5-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole
CID 138533187
10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
CID 130396249
10-phenyl-2'-[2-(2-phenylquinazolin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 129263859
2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine
CID 134579023
2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole
CID 118337798
10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane]
CID 166017823
12,18-diphenyl-15-(4-phenylquinazolin-2-yl)-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
CID 169073121
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The IUPAC name of 14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (CID 118216060) is 14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.
What is the SMILES notation for 14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The canonical SMILES for 14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4-c4ccccc4-5)nc4ccccc34)cc2)cc1.
What is the InChIKey of 14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The InChIKey is OWWGRRIPGSPWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-3-13-30(14-4-1)31-23-25-32(26-24-31)43-39-20-9-11-21-40(39)45-44(46-43)33-27-28-38-36-18-8-7-17-35(36)37-19-10-12-22-41(37)47(42(38)29-33)34-15-5-2-6-16-34/h1-29H.
What are the key properties of 14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene has a molecular weight of 599.74 g/mol, XLogP of 11.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 118216060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).