2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine

C45H34N4 — CID 142385347

IUPAC2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine
SMILESC1=CCCC(c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)C4=C(CCC=C4)C5(c4ccccc4)c4ccncc4)c3)n2)=C1
InChIInChI=1S/C45H34N4/c1-4-13-31(14-5-1)42-47-43(32-15-6-2-7-16-32)49-44(48-42)35-18-12-17-33(29-35)34-23-24-41-39(30-34)38-21-10-11-22-40(38)45(41,36-19-8-3-9-20-36)37-25-27-46-28-26-37/h1-6,8-10,12-15,17-21,23-30H,7,11,16,22H2
InChIKeyABXHNHTVOFZSKN-UHFFFAOYSA-N
MW630.80 g/mol
LogP10.45
Rot. Bonds6

About 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine

2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine (PubChem CID 142385347) has the molecular formula C45H34N4 and a molecular weight of 630.80 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine
PubChem CID142385347
Molecular FormulaC45H34N4
Molecular Weight630.80 g/mol
Exact Mass630.28
IUPAC Name2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine
SMILESC1=CCCC(c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)C4=C(CCC=C4)C5(c4ccccc4)c4ccncc4)c3)n2)=C1
InChIInChI=1S/C45H34N4/c1-4-13-31(14-5-1)42-47-43(32-15-6-2-7-16-32)49-44(48-42)35-18-12-17-33(29-35)34-23-24-41-39(30-34)38-21-10-11-22-40(38)45(41,36-19-8-3-9-20-36)37-25-27-46-28-26-37/h1-6,8-10,12-15,17-21,23-30H,7,11,16,22H2
InChIKeyABXHNHTVOFZSKN-UHFFFAOYSA-N
XLogP10.45
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.80
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-4-[3-[8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 130439927
2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 129171468
4-[4-(4-cyanophenyl)-6-[3-(9-phenyl-9-pyridin-4-ylfluoren-3-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 142384908
4-[3-[4-cyclohexa-1,3-dien-1-yl-6-(9,9-diphenylxanthen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 163804992
2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146631972
7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
CID 145189166
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198719
2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 134447548
(Z)-but-2-ene;cyclohexa-1,3-diene;2,4-diphenyl-6-[3-[6-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)-2-pyridinyl]phenyl]-1,3,5-triazine
CID 142385296
2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389233
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine (CID 142385347) is 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine is C1=CCCC(c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)C4=C(CCC=C4)C5(c4ccccc4)c4ccncc4)c3)n2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine?
The InChIKey is ABXHNHTVOFZSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N4/c1-4-13-31(14-5-1)42-47-43(32-15-6-2-7-16-32)49-44(48-42)35-18-12-17-33(29-35)34-23-24-41-39(30-34)38-21-10-11-22-40(38)45(41,36-19-8-3-9-20-36)37-25-27-46-28-26-37/h1-6,8-10,12-15,17-21,23-30H,7,11,16,22H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine?
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine has a molecular weight of 630.80 g/mol, XLogP of 10.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 142385347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).