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

C39H26N2 — CID 126682868

IUPAC8-(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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-c4cc(-c5ccccc5)nc5cccc3c45)c2)cc1
InChIInChI=1S/C39H26N2/c1-4-13-27(14-5-1)30-23-31(28-15-6-2-7-16-28)25-32(24-30)41-37-21-11-10-19-33(37)34-26-36(29-17-8-3-9-18-29)40-35-20-12-22-38(41)39(34)35/h1-26H
InChIKeyGCQBYQIEDGDZEZ-UHFFFAOYSA-N
MW522.65 g/mol
LogP10.69
Rot. Bonds4

About 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

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 (PubChem CID 126682868) has the molecular formula C39H26N2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID126682868
Molecular FormulaC39H26N2
Molecular Weight522.65 g/mol
Exact Mass522.21
IUPAC Name8-(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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-c4cc(-c5ccccc5)nc5cccc3c45)c2)cc1
InChIInChI=1S/C39H26N2/c1-4-13-27(14-5-1)30-23-31(28-15-6-2-7-16-28)25-32(24-30)41-37-21-11-10-19-33(37)34-26-36(29-17-8-3-9-18-29)40-35-20-12-22-38(41)39(34)35/h1-26H
InChIKeyGCQBYQIEDGDZEZ-UHFFFAOYSA-N
XLogP10.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

3-(3-phenylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621439
15-phenyl-8-[3-(3-triphenylen-2-ylphenyl)phenyl]-8,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 126682882
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
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
8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 126682779
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
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
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
14-[3-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-ylphenyl]-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 146390366
14-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-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 146390552
10-phenyl-4'-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 146663709
5-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-10-phenylphenazine
CID 153293260

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-c4cc(-c5ccccc5)nc5cccc3c45)c2)cc1.
What is the InChIKey of 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?
The InChIKey is GCQBYQIEDGDZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2/c1-4-13-27(14-5-1)30-23-31(28-15-6-2-7-16-28)25-32(24-30)41-37-21-11-10-19-33(37)34-26-36(29-17-8-3-9-18-29)40-35-20-12-22-38(41)39(34)35/h1-26H.
What are the key properties of 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?
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 has a molecular weight of 522.65 g/mol, XLogP of 10.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126682868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).