7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene

C51H35N3 — CID 165374453

IUPAC7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(N5c6ccccc6-c6ccccc6-c6c5ccn6-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C51H35N3/c1-4-15-36(16-5-1)41-34-47(38-17-6-2-7-18-38)52-48(35-41)39-29-27-37(28-30-39)40-19-14-22-43(33-40)54-49-26-13-12-24-45(49)44-23-10-11-25-46(44)51-50(54)31-32-53(51)42-20-8-3-9-21-42/h1-35H
InChIKeyPAIMGTSMTKLMLD-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.66
Rot. Bonds6

About 7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene

7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene (PubChem CID 165374453) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene.

Molecular Properties

Compound Name7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene
PubChem CID165374453
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(N5c6ccccc6-c6ccccc6-c6c5ccn6-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C51H35N3/c1-4-15-36(16-5-1)41-34-47(38-17-6-2-7-18-38)52-48(35-41)39-29-27-37(28-30-39)40-19-14-22-43(33-40)54-49-26-13-12-24-45(49)44-23-10-11-25-46(44)51-50(54)31-32-53(51)42-20-8-3-9-21-42/h1-35H
InChIKeyPAIMGTSMTKLMLD-UHFFFAOYSA-N
XLogP13.66
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene with MolForge

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Related Compounds

3-(4,6-diphenyl-2-pyridinyl)-7-(3-phenylphenyl)-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene
CID 165374469
10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216161
8-(3,5-diphenylphenyl)-15-phenyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 126682868
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216057
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
5-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-10-phenylphenazine
CID 153293260
14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 142397344
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
22-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-[3-[4-[4-phenyl-6-[3-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]pyrimidin-2-yl]phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 166980103
10-phenyl-4'-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 146663709
5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140856453
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene?
The IUPAC name of 7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene (CID 165374453) is 7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene.
What is the SMILES notation for 7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene?
The canonical SMILES for 7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(N5c6ccccc6-c6ccccc6-c6c5ccn6-c5ccccc5)c4)cc3)c2)cc1.
What is the InChIKey of 7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene?
The InChIKey is PAIMGTSMTKLMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-4-15-36(16-5-1)41-34-47(38-17-6-2-7-18-38)52-48(35-41)39-29-27-37(28-30-39)40-19-14-22-43(33-40)54-49-26-13-12-24-45(49)44-23-10-11-25-46(44)51-50(54)31-32-53(51)42-20-8-3-9-21-42/h1-35H.
What are the key properties of 7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene?
7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene has a molecular weight of 689.86 g/mol, XLogP of 13.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-3-phenyl-3,7-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),4,8,10,12,14,16-octaene is sourced from PubChem (CID 165374453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).