2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine

C41H31F2N3 — CID 135247163

IUPAC2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
SMILESFC1(F)c2cc(C3=NC(C4=CC=CCC4)N=C(c4ccccc4)N3)ccc2-c2ccc(-c3ccc4c(c3)C3C=CC=CC3C4)cc21
InChIInChI=1S/C41H31F2N3/c42-41(43)36-23-28(27-15-16-30-21-29-13-7-8-14-32(29)35(30)22-27)17-19-33(36)34-20-18-31(24-37(34)41)40-45-38(25-9-3-1-4-10-25)44-39(46-40)26-11-5-2-6-12-26/h1-5,7-11,13-20,22-24,29,32,39H,6,12,21H2,(H,44,45,46)
InChIKeyQVZCDVJWUYZSCC-UHFFFAOYSA-N
MW603.72 g/mol
LogP9.26
Rot. Bonds4

About 2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine

2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 135247163) has the molecular formula C41H31F2N3 and a molecular weight of 603.72 g/mol. Its IUPAC name is 2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
PubChem CID135247163
Molecular FormulaC41H31F2N3
Molecular Weight603.72 g/mol
Exact Mass603.25
IUPAC Name2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
SMILESFC1(F)c2cc(C3=NC(C4=CC=CCC4)N=C(c4ccccc4)N3)ccc2-c2ccc(-c3ccc4c(c3)C3C=CC=CC3C4)cc21
InChIInChI=1S/C41H31F2N3/c42-41(43)36-23-28(27-15-16-30-21-29-13-7-8-14-32(29)35(30)22-27)17-19-33(36)34-20-18-31(24-37(34)41)40-45-38(25-9-3-1-4-10-25)44-39(46-40)26-11-5-2-6-12-26/h1-5,7-11,13-20,22-24,29,32,39H,6,12,21H2,(H,44,45,46)
InChIKeyQVZCDVJWUYZSCC-UHFFFAOYSA-N
XLogP9.26
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.72
LogP ≤ 59.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

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CID 117848152
CID 117848304
CID 117848304
CID 117848324
CID 117848324
CID 117848326
CID 117848326
CID 126592453
CID 126592453
CID 134259738
CID 134259738
CID 135247059
CID 135247059
CID 135247065
CID 135247065

Frequently Asked Questions

What is the IUPAC name of 2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine (CID 135247163) is 2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine is FC1(F)c2cc(C3=NC(C4=CC=CCC4)N=C(c4ccccc4)N3)ccc2-c2ccc(-c3ccc4c(c3)C3C=CC=CC3C4)cc21.
What is the InChIKey of 2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is QVZCDVJWUYZSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31F2N3/c42-41(43)36-23-28(27-15-16-30-21-29-13-7-8-14-32(29)35(30)22-27)17-19-33(36)34-20-18-31(24-37(34)41)40-45-38(25-9-3-1-4-10-25)44-39(46-40)26-11-5-2-6-12-26/h1-5,7-11,13-20,22-24,29,32,39H,6,12,21H2,(H,44,45,46).
What are the key properties of 2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine?
2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 603.72 g/mol, XLogP of 9.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(8a,9-dihydro-4bH-fluoren-3-yl)-9,9-difluorofluoren-2-yl]-4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 135247163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).