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

C36H22N4 — CID 122465151

IUPAC12-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
SMILESc1ccc(-n2c3cc4ccccc4cc3c3cc4c5ccccc5n(-c5ncc6ccccc6n5)c4cc32)cc1
InChIInChI=1S/C36H22N4/c1-2-13-26(14-3-1)39-33-19-24-11-5-4-10-23(24)18-28(33)30-20-29-27-15-7-9-17-32(27)40(35(29)21-34(30)39)36-37-22-25-12-6-8-16-31(25)38-36/h1-22H
InChIKeyFEPHQBOZQCNXIL-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.98
Rot. Bonds2

About 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

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 (PubChem CID 122465151) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-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
PubChem CID122465151
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name12-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
SMILESc1ccc(-n2c3cc4ccccc4cc3c3cc4c5ccccc5n(-c5ncc6ccccc6n5)c4cc32)cc1
InChIInChI=1S/C36H22N4/c1-2-13-26(14-3-1)39-33-19-24-11-5-4-10-23(24)18-28(33)30-20-29-27-15-7-9-17-32(27)40(35(29)21-34(30)39)36-37-22-25-12-6-8-16-31(25)38-36/h1-22H
InChIKeyFEPHQBOZQCNXIL-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 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 with MolForge

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Related Compounds

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CID 122465132
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3-phenyl-9-quinazolin-2-ylpyrrolo[3,2-b]carbazole
CID 90062396
7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole
CID 138623613
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
9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole
CID 170652213
2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline
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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
5-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 138606242
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
1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3cc4ccccc4cc3c3cc4c5ccccc5n(-c5ncc6ccccc6n5)c4cc32)cc1.
What is the InChIKey of 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?
The InChIKey is FEPHQBOZQCNXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-2-13-26(14-3-1)39-33-19-24-11-5-4-10-23(24)18-28(33)30-20-29-27-15-7-9-17-32(27)40(35(29)21-34(30)39)36-37-22-25-12-6-8-16-31(25)38-36/h1-22H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 122465151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).