8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene

C35H23N5 — CID 118104643

IUPAC8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
SMILESc1ccc(-c2cc(-n3c4cncnc4c4c5ccccc5n(-c5ccccc5)c43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C35H23N5/c1-4-12-24(13-5-1)29-20-27(21-30(38-29)25-14-6-2-7-15-25)40-32-22-36-23-37-34(32)33-28-18-10-11-19-31(28)39(35(33)40)26-16-8-3-9-17-26/h1-23H
InChIKeyQMJBTMZQSYDSNE-UHFFFAOYSA-N
MW513.60 g/mol
LogP8.25
Rot. Bonds4

About 8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene

8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene (PubChem CID 118104643) has the molecular formula C35H23N5 and a molecular weight of 513.60 g/mol. Its IUPAC name is 8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene.

Molecular Properties

Compound Name8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
PubChem CID118104643
Molecular FormulaC35H23N5
Molecular Weight513.60 g/mol
Exact Mass513.20
IUPAC Name8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
SMILESc1ccc(-c2cc(-n3c4cncnc4c4c5ccccc5n(-c5ccccc5)c43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C35H23N5/c1-4-12-24(13-5-1)29-20-27(21-30(38-29)25-14-6-2-7-15-25)40-32-22-36-23-37-34(32)33-28-18-10-11-19-31(28)39(35(33)40)26-16-8-3-9-17-26/h1-23H
InChIKeyQMJBTMZQSYDSNE-UHFFFAOYSA-N
XLogP8.25
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene with MolForge

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Related Compounds

10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
CID 118104791
24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 122523876
7-(2,6-diphenyl-4-pyridinyl)benzo[c]carbazole
CID 70836984
12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 58142375
8-methyl-5-phenylpyrimido[5,4-b]indole
CID 67094526
5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole
CID 159023598
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole
CID 158283831
9-(2,6-diphenyl-4-pyridinyl)-14-phenyl-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;9-phenyl-14-(4-phenylphenyl)-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;9-(4-phenylphenyl)-14-pyridin-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;9-(4-phenylphenyl)-14-pyridin-4-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 162141831
9-(2,6-diphenyl-4-pyridinyl)-14-naphthalen-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 140937339
6-(2,6-diphenyl-4-pyridinyl)furo[3,2-c]carbazole
CID 123472648
9-[3-[3-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 58693128
9-phenyl-21-(4-phenylphenyl)-18-thia-9,13,15,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138640039

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?
The IUPAC name of 8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene (CID 118104643) is 8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene.
What is the SMILES notation for 8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?
The canonical SMILES for 8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene is c1ccc(-c2cc(-n3c4cncnc4c4c5ccccc5n(-c5ccccc5)c43)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?
The InChIKey is QMJBTMZQSYDSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5/c1-4-12-24(13-5-1)29-20-27(21-30(38-29)25-14-6-2-7-15-25)40-32-22-36-23-37-34(32)33-28-18-10-11-19-31(28)39(35(33)40)26-16-8-3-9-17-26/h1-23H.
What are the key properties of 8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?
8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene has a molecular weight of 513.60 g/mol, XLogP of 8.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene is sourced from PubChem (CID 118104643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).