[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane

C40H30N3P — CID 165152031

IUPAC[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane
SMILESCC1(C)c2cc(P)ccc2-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc3ccccc3c21
InChIInChI=1S/C40H30N3P/c1-40(2)34-24-30(44)21-22-32(34)35-33(23-29-15-9-10-16-31(29)36(35)40)25-17-19-28(20-18-25)39-42-37(26-11-5-3-6-12-26)41-38(43-39)27-13-7-4-8-14-27/h3-24H,44H2,1-2H3
InChIKeyVREKJWAWNLECIE-UHFFFAOYSA-N
MW583.68 g/mol
LogP9.50
Rot. Bonds4

About [6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane

[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane (PubChem CID 165152031) has the molecular formula C40H30N3P and a molecular weight of 583.68 g/mol. Its IUPAC name is [6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane.

Molecular Properties

Compound Name[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane
PubChem CID165152031
Molecular FormulaC40H30N3P
Molecular Weight583.68 g/mol
Exact Mass583.22
IUPAC Name[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane
SMILESCC1(C)c2cc(P)ccc2-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc3ccccc3c21
InChIInChI=1S/C40H30N3P/c1-40(2)34-24-30(44)21-22-32(34)35-33(23-29-15-9-10-16-31(29)36(35)40)25-17-19-28(20-18-25)39-42-37(26-11-5-3-6-12-26)41-38(43-39)27-13-7-4-8-14-27/h3-24H,44H2,1-2H3
InChIKeyVREKJWAWNLECIE-UHFFFAOYSA-N
XLogP9.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.68
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165152188
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4,6-diphenylpyrimidine
CID 170410073
4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 170411240
2-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 165151926
2-[3-[11,11-dimethyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)benzo[a]fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170411064
N-[4-(11,11-dimethyl-9-phenylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170373595
4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152263
4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1-carbonitrile
CID 165152296
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 165152315
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 130355546
2-[3-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 165152040
2-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150871

Frequently Asked Questions

What is the IUPAC name of [6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane?
The IUPAC name of [6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane (CID 165152031) is [6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane.
What is the SMILES notation for [6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane?
The canonical SMILES for [6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane is CC1(C)c2cc(P)ccc2-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc3ccccc3c21.
What is the InChIKey of [6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane?
The InChIKey is VREKJWAWNLECIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N3P/c1-40(2)34-24-30(44)21-22-32(34)35-33(23-29-15-9-10-16-31(29)36(35)40)25-17-19-28(20-18-25)39-42-37(26-11-5-3-6-12-26)41-38(43-39)27-13-7-4-8-14-27/h3-24H,44H2,1-2H3.
What are the key properties of [6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane?
[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane has a molecular weight of 583.68 g/mol, XLogP of 9.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane is sourced from PubChem (CID 165152031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).