9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile

C46H29N5O — CID 163897039

IUPAC9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile
SMILESN#Cc1cccc2c1Oc1cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)cc3)ccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H29N5O/c47-30-35-15-12-20-39-42(35)52-41-29-34(26-27-38(41)46(39,36-16-6-2-7-17-36)37-18-8-3-9-19-37)31-22-24-33(25-23-31)44-49-43(32-13-4-1-5-14-32)50-45(51-44)40-21-10-11-28-48-40/h1-29H
InChIKeyQGNZOFWYFCCQAZ-UHFFFAOYSA-N
MW667.77 g/mol
LogP10.29
Rot. Bonds6

About 9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile

9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile (PubChem CID 163897039) has the molecular formula C46H29N5O and a molecular weight of 667.77 g/mol. Its IUPAC name is 9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile.

Molecular Properties

Compound Name9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile
PubChem CID163897039
Molecular FormulaC46H29N5O
Molecular Weight667.77 g/mol
Exact Mass667.24
IUPAC Name9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile
SMILESN#Cc1cccc2c1Oc1cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)cc3)ccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H29N5O/c47-30-35-15-12-20-39-42(35)52-41-29-34(26-27-38(41)46(39,36-16-6-2-7-17-36)37-18-8-3-9-19-37)31-22-24-33(25-23-31)44-49-43(32-13-4-1-5-14-32)50-45(51-44)40-21-10-11-28-48-40/h1-29H
InChIKeyQGNZOFWYFCCQAZ-UHFFFAOYSA-N
XLogP10.29
TPSA84.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-[3-(9,9-diphenylxanthen-3-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 163567648
2-[4-[4-[4-(9,9-diphenylxanthen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166031227
2-[4-[4-[3-(9,9-diphenylxanthen-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166031328
4-[4-(9,9-diphenylxanthen-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 163506983
2-[4-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146388551
2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388734
2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 167178462
2-[3-[3-(9,9-diphenylxanthen-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylxanthen-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 161404978
9,9-dimethyl-6-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile
CID 163915506
4-[4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalene-1-carbonitrile
CID 166031257
4-[4-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 163736945
4-[4-[4-(9,9-diphenylxanthen-4-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 166031308

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile?
The IUPAC name of 9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile (CID 163897039) is 9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile.
What is the SMILES notation for 9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile?
The canonical SMILES for 9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile is N#Cc1cccc2c1Oc1cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)cc3)ccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile?
The InChIKey is QGNZOFWYFCCQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5O/c47-30-35-15-12-20-39-42(35)52-41-29-34(26-27-38(41)46(39,36-16-6-2-7-17-36)37-18-8-3-9-19-37)31-22-24-33(25-23-31)44-49-43(32-13-4-1-5-14-32)50-45(51-44)40-21-10-11-28-48-40/h1-29H.
What are the key properties of 9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile?
9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile has a molecular weight of 667.77 g/mol, XLogP of 10.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]xanthene-4-carbonitrile is sourced from PubChem (CID 163897039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).