9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole

C41H28FN5 — CID 169276059

IUPAC9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
SMILESCC1(C)c2cc(-n3c4ccccc4c4cccnc43)ccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)c21
InChIInChI=1S/C41H28FN5/c1-41(2)34-24-28(47-35-16-7-6-12-30(35)32-15-9-23-43-40(32)47)21-22-29(34)31-13-8-14-33(36(31)41)39-45-37(25-10-4-3-5-11-25)44-38(46-39)26-17-19-27(42)20-18-26/h3-24H,1-2H3
InChIKeyJNULTWMBCFCXON-UHFFFAOYSA-N
MW609.71 g/mol
LogP9.81
Rot. Bonds4

About 9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole

9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole (PubChem CID 169276059) has the molecular formula C41H28FN5 and a molecular weight of 609.71 g/mol. Its IUPAC name is 9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
PubChem CID169276059
Molecular FormulaC41H28FN5
Molecular Weight609.71 g/mol
Exact Mass609.23
IUPAC Name9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
SMILESCC1(C)c2cc(-n3c4ccccc4c4cccnc43)ccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)c21
InChIInChI=1S/C41H28FN5/c1-41(2)34-24-28(47-35-16-7-6-12-30(35)32-15-9-23-43-40(32)47)21-22-29(34)31-13-8-14-33(36(31)41)39-45-37(25-10-4-3-5-11-25)44-38(46-39)26-17-19-27(42)20-18-26/h3-24H,1-2H3
InChIKeyJNULTWMBCFCXON-UHFFFAOYSA-N
XLogP9.81
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.71
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole (CID 169276059) is 9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole is CC1(C)c2cc(-n3c4ccccc4c4cccnc43)ccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)c21.
What is the InChIKey of 9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole?
The InChIKey is JNULTWMBCFCXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28FN5/c1-41(2)34-24-28(47-35-16-7-6-12-30(35)32-15-9-23-43-40(32)47)21-22-29(34)31-13-8-14-33(36(31)41)39-45-37(25-10-4-3-5-11-25)44-38(46-39)26-17-19-27(42)20-18-26/h3-24H,1-2H3.
What are the key properties of 9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole?
9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole has a molecular weight of 609.71 g/mol, XLogP of 9.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 169276059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).