8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene

C41H27N3 — CID 89088917

IUPAC8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene
SMILESC1=C2C=CC=CC=1N(c1ccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc1)c1ccccc12
InChIInChI=1S/C41H27N3/c1-3-12-30(13-4-1)38-28-39(31-14-5-2-6-15-31)43-41(42-38)34-18-11-17-32(26-34)29-22-24-35(25-23-29)44-36-19-8-7-16-33(27-36)37-20-9-10-21-40(37)44/h1-26,28H
InChIKeyUWEIPDIDUZNOTB-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.29
Rot. Bonds5

About 8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene

8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene (PubChem CID 89088917) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene.

Molecular Properties

Compound Name8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene
PubChem CID89088917
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene
SMILESC1=C2C=CC=CC=1N(c1ccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc1)c1ccccc12
InChIInChI=1S/C41H27N3/c1-3-12-30(13-4-1)38-28-39(31-14-5-2-6-15-31)43-41(42-38)34-18-11-17-32(26-34)29-22-24-35(25-23-29)44-36-19-8-7-16-33(27-36)37-20-9-10-21-40(37)44/h1-26,28H
InChIKeyUWEIPDIDUZNOTB-UHFFFAOYSA-N
XLogP10.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene with MolForge

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Related Compounds

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
2-[3-[3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163428820
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2'-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263243
2,4-bis(3,5-diphenylphenyl)-6-phenylpyridine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2,6-diphenyl-4-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]pyridine;4-phenyl-2,6-bis[3-(4-phenylphenyl)phenyl]pyridine
CID 159753320
4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,6-diphenyl-4-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159967956
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371

Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene?
The IUPAC name of 8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene (CID 89088917) is 8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene.
What is the SMILES notation for 8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene?
The canonical SMILES for 8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene is C1=C2C=CC=CC=1N(c1ccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc1)c1ccccc12.
What is the InChIKey of 8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene?
The InChIKey is UWEIPDIDUZNOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-3-12-30(13-4-1)38-28-39(31-14-5-2-6-15-31)43-41(42-38)34-18-11-17-32(26-34)29-22-24-35(25-23-29)44-36-19-8-7-16-33(27-36)37-20-9-10-21-40(37)44/h1-26,28H.
What are the key properties of 8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene?
8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene has a molecular weight of 561.69 g/mol, XLogP of 10.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2,4,6,9(14),10,12-heptaene is sourced from PubChem (CID 89088917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).