10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene

C35H21N7 — CID 139495629

IUPAC10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene
SMILESc1ccc(-c2cc(-c3ncc4ccccc4n3)nc(-n3c4ccccc4c4cn5c(cc43)nc3ccccc35)n2)cc1
InChIInChI=1S/C35H21N7/c1-2-10-22(11-3-1)28-18-29(34-36-20-23-12-4-6-14-26(23)38-34)40-35(39-28)42-30-16-8-5-13-24(30)25-21-41-31-17-9-7-15-27(31)37-33(41)19-32(25)42/h1-21H
InChIKeyVAXURIIJHVBPMN-UHFFFAOYSA-N
MW539.60 g/mol
LogP7.65
Rot. Bonds3

About 10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene

10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene (PubChem CID 139495629) has the molecular formula C35H21N7 and a molecular weight of 539.60 g/mol. Its IUPAC name is 10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene.

Molecular Properties

Compound Name10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene
PubChem CID139495629
Molecular FormulaC35H21N7
Molecular Weight539.60 g/mol
Exact Mass539.19
IUPAC Name10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene
SMILESc1ccc(-c2cc(-c3ncc4ccccc4n3)nc(-n3c4ccccc4c4cn5c(cc43)nc3ccccc35)n2)cc1
InChIInChI=1S/C35H21N7/c1-2-10-22(11-3-1)28-18-29(34-36-20-23-12-4-6-14-26(23)38-34)40-35(39-28)42-30-16-8-5-13-24(30)25-21-41-31-17-9-7-15-27(31)37-33(41)19-32(25)42/h1-21H
InChIKeyVAXURIIJHVBPMN-UHFFFAOYSA-N
XLogP7.65
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.60
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene with MolForge

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Related Compounds

9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567
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
12-(4-phenylbenzo[h]quinazolin-2-yl)-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
CID 139495378
23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 121432065
7-[4-(4-phenylphenyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-b]carbazole
CID 121385422
9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943683
[3,5-bis(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenyl-λ4-sulfane
CID 170108878
9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937291
9,14-bis(4,6-diphenylpyrimidin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 70851555
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639
10-phenyl-22-quinazolin-2-yl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465132
9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole
CID 146375718

Frequently Asked Questions

What is the IUPAC name of 10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene?
The IUPAC name of 10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene (CID 139495629) is 10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene.
What is the SMILES notation for 10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene?
The canonical SMILES for 10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene is c1ccc(-c2cc(-c3ncc4ccccc4n3)nc(-n3c4ccccc4c4cn5c(cc43)nc3ccccc35)n2)cc1.
What is the InChIKey of 10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene?
The InChIKey is VAXURIIJHVBPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N7/c1-2-10-22(11-3-1)28-18-29(34-36-20-23-12-4-6-14-26(23)38-34)40-35(39-28)42-30-16-8-5-13-24(30)25-21-41-31-17-9-7-15-27(31)37-33(41)19-32(25)42/h1-21H.
What are the key properties of 10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene?
10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene has a molecular weight of 539.60 g/mol, XLogP of 7.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene is sourced from PubChem (CID 139495629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).