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

C54H35N3 — CID 155465894

IUPAC2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6c(ccc5c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c4ccccc34)n2)cc1
InChIInChI=1S/C54H35N3/c1-5-17-36(18-6-1)51-55-52(37-19-7-2-8-20-37)57-53(56-51)46-33-32-42(44-25-13-14-26-45(44)46)38-29-31-43-39(35-38)30-34-49-50(43)47-27-15-16-28-48(47)54(49,40-21-9-3-10-22-40)41-23-11-4-12-24-41/h1-35H
InChIKeyBZHQKABFJJMGFB-UHFFFAOYSA-N
MW725.90 g/mol
LogP13.21
Rot. Bonds6

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

2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 155465894) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID155465894
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6c(ccc5c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c4ccccc34)n2)cc1
InChIInChI=1S/C54H35N3/c1-5-17-36(18-6-1)51-55-52(37-19-7-2-8-20-37)57-53(56-51)46-33-32-42(44-25-13-14-26-45(44)46)38-29-31-43-39(35-38)30-34-49-50(43)47-27-15-16-28-48(47)54(49,40-21-9-3-10-22-40)41-23-11-4-12-24-41/h1-35H
InChIKeyBZHQKABFJJMGFB-UHFFFAOYSA-N
XLogP13.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465814
2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465666
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-(7,7-diphenylbenzo[c]fluoren-3-yl)-3-phenylquinoxaline
CID 155465500
2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167177308
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
4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632731
2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168777450
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-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 162196091

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 155465894) is 2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6c(ccc5c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is BZHQKABFJJMGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-5-17-36(18-6-1)51-55-52(37-19-7-2-8-20-37)57-53(56-51)46-33-32-42(44-25-13-14-26-45(44)46)38-29-31-43-39(35-38)30-34-49-50(43)47-27-15-16-28-48(47)54(49,40-21-9-3-10-22-40)41-23-11-4-12-24-41/h1-35H.
What are the key properties of 2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 725.90 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155465894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).