16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C47H29N5 — CID 163802710

IUPAC16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c7ccc8ccccc8c7n(-c7ccccn7)c6cc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C47H29N5/c1-2-12-30(13-3-1)31-21-23-33(24-22-31)45-37-17-6-8-18-40(37)49-47(50-45)51-41-19-9-7-16-35(41)38-28-39-36-26-25-32-14-4-5-15-34(32)46(36)52(43(39)29-42(38)51)44-20-10-11-27-48-44/h1-29H
InChIKeyYOHLPFGIVGFXBR-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.71
Rot. Bonds4

About 16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 163802710) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
PubChem CID163802710
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c7ccc8ccccc8c7n(-c7ccccn7)c6cc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C47H29N5/c1-2-12-30(13-3-1)31-21-23-33(24-22-31)45-37-17-6-8-18-40(37)49-47(50-45)51-41-19-9-7-16-35(41)38-28-39-36-26-25-32-14-4-5-15-34(32)46(36)52(43(39)29-42(38)51)44-20-10-11-27-48-44/h1-29H
InChIKeyYOHLPFGIVGFXBR-UHFFFAOYSA-N
XLogP11.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene with MolForge

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Related Compounds

16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 139322662
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
3-phenyl-16-(4-phenylquinazolin-2-yl)-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 122465729
16-phenyl-12-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 139322441
5-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 138606242
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408
24-[4-(4-phenylphenyl)quinazolin-2-yl]-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene
CID 121432163
14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165926
12-phenyl-16-(3-phenylquinoxalin-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;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 158104834
20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 138639575
5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 166511613
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569

Frequently Asked Questions

What is the IUPAC name of 16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The IUPAC name of 16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 163802710) is 16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.
What is the SMILES notation for 16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The canonical SMILES for 16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c7ccc8ccccc8c7n(-c7ccccn7)c6cc54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The InChIKey is YOHLPFGIVGFXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-2-12-30(13-3-1)31-21-23-33(24-22-31)45-37-17-6-8-18-40(37)49-47(50-45)51-41-19-9-7-16-35(41)38-28-39-36-26-25-32-14-4-5-15-34(32)46(36)52(43(39)29-42(38)51)44-20-10-11-27-48-44/h1-29H.
What are the key properties of 16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 663.78 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 163802710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).