2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine

C44H29N3 — CID 155465666

IUPAC2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5c(ccc34)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1
InChIInChI=1S/C44H29N3/c1-5-16-30(17-6-1)41-45-42(31-18-7-2-8-19-31)47-43(46-41)36-26-15-25-35-34(36)28-29-39-40(35)37-24-13-14-27-38(37)44(39,32-20-9-3-10-21-32)33-22-11-4-12-23-33/h1-29H
InChIKeyKMMHDJVDMPEMAA-UHFFFAOYSA-N
MW599.74 g/mol
LogP10.39
Rot. Bonds5

About 2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine

2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 155465666) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID155465666
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5c(ccc34)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1
InChIInChI=1S/C44H29N3/c1-5-16-30(17-6-1)41-45-42(31-18-7-2-8-19-31)47-43(46-41)36-26-15-25-35-34(36)28-29-39-40(35)37-24-13-14-27-38(37)44(39,32-20-9-3-10-21-32)33-22-11-4-12-23-33/h1-29H
InChIKeyKMMHDJVDMPEMAA-UHFFFAOYSA-N
XLogP10.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155465894
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465814
2-[3-(9,9-diphenylfluoren-4-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 146649016
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 155765178
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717
2-(11,11-diphenylbenzo[a]fluoren-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 165152070
2-phenyl-4-[4-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 134487414
2-(4-chlorophenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 167485394
2-naphthalen-1-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146649139
2-(7,7-diphenylbenzo[c]fluoren-2-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-1-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 158307725
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779478

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine (CID 155465666) is 2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5c(ccc34)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1.
What is the InChIKey of 2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is KMMHDJVDMPEMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-5-16-30(17-6-1)41-45-42(31-18-7-2-8-19-31)47-43(46-41)36-26-15-25-35-34(36)28-29-39-40(35)37-24-13-14-27-38(37)44(39,32-20-9-3-10-21-32)33-22-11-4-12-23-33/h1-29H.
What are the key properties of 2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 599.74 g/mol, XLogP of 10.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155465666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).