15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene

C35H21N5 — CID 122523957

IUPAC15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c5c6ncccc6ccc5n(-c5ncc6ccccc6n5)c4c32)cc1
InChIInChI=1S/C35H21N5/c1-2-11-24(12-3-1)39-29-15-7-5-13-25(29)26-17-18-27-31-30(19-16-22-10-8-20-36-32(22)31)40(34(27)33(26)39)35-37-21-23-9-4-6-14-28(23)38-35/h1-21H
InChIKeyKRPRFPRFXMBBCL-UHFFFAOYSA-N
MW511.59 g/mol
LogP8.37
Rot. Bonds2

About 15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene

15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene (PubChem CID 122523957) has the molecular formula C35H21N5 and a molecular weight of 511.59 g/mol. Its IUPAC name is 15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
PubChem CID122523957
Molecular FormulaC35H21N5
Molecular Weight511.59 g/mol
Exact Mass511.18
IUPAC Name15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c5c6ncccc6ccc5n(-c5ncc6ccccc6n5)c4c32)cc1
InChIInChI=1S/C35H21N5/c1-2-11-24(12-3-1)39-29-15-7-5-13-25(29)26-17-18-27-31-30(19-16-22-10-8-20-36-32(22)31)40(34(27)33(26)39)35-37-21-23-9-4-6-14-28(23)38-35/h1-21H
InChIKeyKRPRFPRFXMBBCL-UHFFFAOYSA-N
XLogP8.37
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.59
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

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
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
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12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 118501870
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-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;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-5,7,12,15-tetrazahexacyclo[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;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-5,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
CID 158023754
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-4,7,12,15-tetrazahexacyclo[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 122524274
15-phenyl-12-quinoxalin-6-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 154952669
12-[4-(1,10-phenanthrolin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90324556
15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[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
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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-phenyl-18-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
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2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline
CID 137395005
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Frequently Asked Questions

What is the IUPAC name of 15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene (CID 122523957) is 15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene is c1ccc(-n2c3ccccc3c3ccc4c5c6ncccc6ccc5n(-c5ncc6ccccc6n5)c4c32)cc1.
What is the InChIKey of 15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?
The InChIKey is KRPRFPRFXMBBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N5/c1-2-11-24(12-3-1)39-29-15-7-5-13-25(29)26-17-18-27-31-30(19-16-22-10-8-20-36-32(22)31)40(34(27)33(26)39)35-37-21-23-9-4-6-14-28(23)38-35/h1-21H.
What are the key properties of 15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?
15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene has a molecular weight of 511.59 g/mol, XLogP of 8.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 122523957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).