2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine

C40H31N3 — CID 155203991

IUPAC2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(C4=CC(c5ccccc5)CC=C4)nc(-c4ccccc4)n3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C40H31N3/c1-40(2)35-25-32(20-21-33(35)34-23-29-16-9-10-17-30(29)24-36(34)40)39-42-37(27-14-7-4-8-15-27)41-38(43-39)31-19-11-18-28(22-31)26-12-5-3-6-13-26/h3-17,19-25,28H,18H2,1-2H3
InChIKeyCMQCKXLFOIOYFV-UHFFFAOYSA-N
MW553.71 g/mol
LogP9.79
Rot. Bonds4

About 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine

2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine (PubChem CID 155203991) has the molecular formula C40H31N3 and a molecular weight of 553.71 g/mol. Its IUPAC name is 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
PubChem CID155203991
Molecular FormulaC40H31N3
Molecular Weight553.71 g/mol
Exact Mass553.25
IUPAC Name2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(C4=CC(c5ccccc5)CC=C4)nc(-c4ccccc4)n3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C40H31N3/c1-40(2)35-25-32(20-21-33(35)34-23-29-16-9-10-17-30(29)24-36(34)40)39-42-37(27-14-7-4-8-15-27)41-38(43-39)31-19-11-18-28(22-31)26-12-5-3-6-13-26/h3-17,19-25,28H,18H2,1-2H3
InChIKeyCMQCKXLFOIOYFV-UHFFFAOYSA-N
XLogP9.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163493770
2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154614028
2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
CID 154614257
2,4-bis(3-phenylcyclohexa-1,5-dien-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155442756
2-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613745
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 174360054
2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680810
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168777339
2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614226

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine (CID 155203991) is 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine is CC1(C)c2cc(-c3nc(C4=CC(c5ccccc5)CC=C4)nc(-c4ccccc4)n3)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The InChIKey is CMQCKXLFOIOYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N3/c1-40(2)35-25-32(20-21-33(35)34-23-29-16-9-10-17-30(29)24-36(34)40)39-42-37(27-14-7-4-8-15-27)41-38(43-39)31-19-11-18-28(22-31)26-12-5-3-6-13-26/h3-17,19-25,28H,18H2,1-2H3.
What are the key properties of 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine has a molecular weight of 553.71 g/mol, XLogP of 9.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 155203991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).