2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine

C51H34N4 — CID 146631972

IUPAC2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccnc4)nc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C51H34N4/c1-4-14-35(15-5-1)36-25-27-37(28-26-36)48-53-49(55-50(54-48)41-18-13-31-52-34-41)40-17-12-16-38(32-40)39-29-30-47-45(33-39)44-23-10-11-24-46(44)51(47,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-34H
InChIKeyBLHCVYLWKZPBIB-UHFFFAOYSA-N
MW702.86 g/mol
LogP11.96
Rot. Bonds7

About 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine

2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine (PubChem CID 146631972) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
PubChem CID146631972
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccnc4)nc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C51H34N4/c1-4-14-35(15-5-1)36-25-27-37(28-26-36)48-53-49(55-50(54-48)41-18-13-31-52-34-41)40-17-12-16-38(32-40)39-29-30-47-45(33-39)44-23-10-11-24-46(44)51(47,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-34H
InChIKeyBLHCVYLWKZPBIB-UHFFFAOYSA-N
XLogP11.96
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146633258
2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353
4-[4-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146633222
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 146633320
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 146632746
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632523
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159194371
2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine
CID 137452000
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161211377
2-(9,9-diphenylfluoren-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162196090
4-(3-phenylphenyl)-2-pyridin-3-yl-6-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidine
CID 146557528

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine (CID 146631972) is 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccnc4)nc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)n3)cc2)cc1.
What is the InChIKey of 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine?
The InChIKey is BLHCVYLWKZPBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-4-14-35(15-5-1)36-25-27-37(28-26-36)48-53-49(55-50(54-48)41-18-13-31-52-34-41)40-17-12-16-38(32-40)39-29-30-47-45(33-39)44-23-10-11-24-46(44)51(47,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-34H.
What are the key properties of 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine?
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine has a molecular weight of 702.86 g/mol, XLogP of 11.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine is sourced from PubChem (CID 146631972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).