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

C47H29N5 — CID 139322441

IUPAC16-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
SMILESc1ccc(-c2nc(-c3ccc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4ccccc4n6-c4ccccc4)nc3)nc3ccccc23)cc1
InChIInChI=1S/C47H29N5/c1-3-14-31(15-4-1)45-37-20-9-11-21-40(37)49-47(50-45)32-24-26-44(48-29-32)52-43-28-42-38(27-39(43)36-25-23-30-13-7-8-18-34(30)46(36)52)35-19-10-12-22-41(35)51(42)33-16-5-2-6-17-33/h1-29H
InChIKeyWYANVOUPAPARNU-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.71
Rot. Bonds4

About 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

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 (PubChem CID 139322441) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name16-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
PubChem CID139322441
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name16-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
SMILESc1ccc(-c2nc(-c3ccc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4ccccc4n6-c4ccccc4)nc3)nc3ccccc23)cc1
InChIInChI=1S/C47H29N5/c1-3-14-31(15-4-1)45-37-20-9-11-21-40(37)49-47(50-45)32-24-26-44(48-29-32)52-43-28-42-38(27-39(43)36-25-23-30-13-7-8-18-34(30)46(36)52)35-19-10-12-22-41(35)51(42)33-16-5-2-6-17-33/h1-29H
InChIKeyWYANVOUPAPARNU-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-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 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
11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
CID 145158965
28-phenyl-23-[22-phenyl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-6-yl]-14-[4-(4-phenylquinazolin-2-yl)phenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21(26),22,24-tridecaene
CID 138533201
2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375421
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
11-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
CID 118487928
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 138533154
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 158725620
3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 139430719
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4ccccc4n6-c4ccccc4)nc3)nc3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is WYANVOUPAPARNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-3-14-31(15-4-1)45-37-20-9-11-21-40(37)49-47(50-45)32-24-26-44(48-29-32)52-43-28-42-38(27-39(43)36-25-23-30-13-7-8-18-34(30)46(36)52)35-19-10-12-22-41(35)51(42)33-16-5-2-6-17-33/h1-29H.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 139322441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).