7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine

C42H32N4 — CID 58233378

IUPAC7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C42H32N4/c1-42(2)37-27-31(41-44-39(29-15-7-3-8-16-29)43-40(45-41)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)42)46(32-19-11-5-12-20-32)33-21-13-6-14-22-33/h3-28H,1-2H3
InChIKeyAVBLUXRKOOBWGB-UHFFFAOYSA-N
MW592.75 g/mol
LogP10.65
Rot. Bonds6

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine (PubChem CID 58233378) has the molecular formula C42H32N4 and a molecular weight of 592.75 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine
PubChem CID58233378
Molecular FormulaC42H32N4
Molecular Weight592.75 g/mol
Exact Mass592.26
IUPAC Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C42H32N4/c1-42(2)37-27-31(41-44-39(29-15-7-3-8-16-29)43-40(45-41)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)42)46(32-19-11-5-12-20-32)33-21-13-6-14-22-33/h3-28H,1-2H3
InChIKeyAVBLUXRKOOBWGB-UHFFFAOYSA-N
XLogP10.65
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.75
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine (CID 58233378) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine is CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
The InChIKey is AVBLUXRKOOBWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N4/c1-42(2)37-27-31(41-44-39(29-15-7-3-8-16-29)43-40(45-41)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)42)46(32-19-11-5-12-20-32)33-21-13-6-14-22-33/h3-28H,1-2H3.
What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 592.75 g/mol, XLogP of 10.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 58233378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).