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

C36H22N4 — CID 122465132

IUPAC10-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
SMILESc1ccc(-n2c3ccccc3c3cc4cc5c(cc4cc32)c2ccccc2n5-c2ncc3ccccc3n2)cc1
InChIInChI=1S/C36H22N4/c1-2-11-26(12-3-1)39-32-16-8-5-13-27(32)29-18-25-21-35-30(19-24(25)20-34(29)39)28-14-6-9-17-33(28)40(35)36-37-22-23-10-4-7-15-31(23)38-36/h1-22H
InChIKeyAIIJGAMMAXZDJG-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.98
Rot. Bonds2

About 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

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 (PubChem CID 122465132) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID122465132
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name10-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
SMILESc1ccc(-n2c3ccccc3c3cc4cc5c(cc4cc32)c2ccccc2n5-c2ncc3ccccc3n2)cc1
InChIInChI=1S/C36H22N4/c1-2-11-26(12-3-1)39-32-16-8-5-13-27(32)29-18-25-21-35-30(19-24(25)20-34(29)39)28-14-6-9-17-33(28)40(35)36-37-22-23-10-4-7-15-31(23)38-36/h1-22H
InChIKeyAIIJGAMMAXZDJG-UHFFFAOYSA-N
XLogP8.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

12-phenyl-16-quinazolin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122465151
3-phenyl-9-quinazolin-2-ylpyrrolo[3,2-b]carbazole
CID 90062396
1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole
CID 90062529
9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole
CID 170652213
7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole
CID 138623613
2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline
CID 137395005
24-phenyl-3-quinazolin-2-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122465139
9-phenyl-23-quinazolin-2-yl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122465142
9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-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 158001880
1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole
CID 90062530
10-phenyl-18-quinolin-2-yl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90223358
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3cc4cc5c(cc4cc32)c2ccccc2n5-c2ncc3ccccc3n2)cc1.
What is the InChIKey of 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?
The InChIKey is AIIJGAMMAXZDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-2-11-26(12-3-1)39-32-16-8-5-13-27(32)29-18-25-21-35-30(19-24(25)20-34(29)39)28-14-6-9-17-33(28)40(35)36-37-22-23-10-4-7-15-31(23)38-36/h1-22H.
What are the key properties of 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?
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 has a molecular weight of 510.60 g/mol, XLogP of 8.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122465132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).