1,2,3,4-tetraphenylbenzene;triazine

C33H25N3 — CID 175536377

IUPAC1,2,3,4-tetraphenylbenzene;triazine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1cnnnc1
InChIInChI=1S/C30H22.C3H3N3/c1-5-13-23(14-6-1)27-21-22-28(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)29(27)25-17-9-3-10-18-25;1-2-4-6-5-3-1/h1-22H;1-3H
InChIKeyRLUZXRGOTWKUJP-UHFFFAOYSA-N
MW463.58 g/mol
LogP8.23
Rot. Bonds4

About 1,2,3,4-tetraphenylbenzene;triazine

1,2,3,4-tetraphenylbenzene;triazine (PubChem CID 175536377) has the molecular formula C33H25N3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1,2,3,4-tetraphenylbenzene;triazine.

Molecular Properties

Compound Name1,2,3,4-tetraphenylbenzene;triazine
PubChem CID175536377
Molecular FormulaC33H25N3
Molecular Weight463.58 g/mol
Exact Mass463.20
IUPAC Name1,2,3,4-tetraphenylbenzene;triazine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1cnnnc1
InChIInChI=1S/C30H22.C3H3N3/c1-5-13-23(14-6-1)27-21-22-28(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)29(27)25-17-9-3-10-18-25;1-2-4-6-5-3-1/h1-22H;1-3H
InChIKeyRLUZXRGOTWKUJP-UHFFFAOYSA-N
XLogP8.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-2,3-diphenylbenzene;triazine
CID 175304154
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
ruthenium;(2,3,4-triphenylphenyl)phosphane
CID 161293596
(2,3,4-triphenylphenyl)hydrazine
CID 67058028
1,2,3-triphenyl-4-(trichloromethyl)benzene
CID 57019840
4,5,6,7-tetraphenyl-1,10-phenanthroline
CID 165388681
1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane
CID 87586907
hydroxy-(2,3,4-triphenylphenyl)phosphanium bromide
CID 159320906
3-[3,4-diphenyl-2-[4-(2,3,6-triphenylphenyl)phenyl]phenyl]benzenethiol
CID 70842936
1,2-diphenylnaphthalene
CID 11208267
3,4-diphenylbenzene-1,2-dithiol
CID 22227433
2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
CID 171052343

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraphenylbenzene;triazine?
The IUPAC name of 1,2,3,4-tetraphenylbenzene;triazine (CID 175536377) is 1,2,3,4-tetraphenylbenzene;triazine.
What is the SMILES notation for 1,2,3,4-tetraphenylbenzene;triazine?
The canonical SMILES for 1,2,3,4-tetraphenylbenzene;triazine is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1cnnnc1.
What is the InChIKey of 1,2,3,4-tetraphenylbenzene;triazine?
The InChIKey is RLUZXRGOTWKUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22.C3H3N3/c1-5-13-23(14-6-1)27-21-22-28(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)29(27)25-17-9-3-10-18-25;1-2-4-6-5-3-1/h1-22H;1-3H.
What are the key properties of 1,2,3,4-tetraphenylbenzene;triazine?
1,2,3,4-tetraphenylbenzene;triazine has a molecular weight of 463.58 g/mol, XLogP of 8.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraphenylbenzene;triazine is sourced from PubChem (CID 175536377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).