3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine

C41H26N2 — CID 140768911

IUPAC3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine
SMILES[C-]#[N+]c1cncc(-c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3-4)c2)c1
InChIInChI=1S/C41H26N2/c1-42-35-24-32(26-43-27-35)30-13-10-12-29(23-30)31-19-21-37-39(25-31)41(33-14-4-2-5-15-33,34-16-6-3-7-17-34)38-22-20-28-11-8-9-18-36(28)40(37)38/h2-27H
InChIKeyIGYQXCFICWWXCJ-UHFFFAOYSA-N
MW546.67 g/mol
LogP10.48
Rot. Bonds4

About 3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine

3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine (PubChem CID 140768911) has the molecular formula C41H26N2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine.

Molecular Properties

Compound Name3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine
PubChem CID140768911
Molecular FormulaC41H26N2
Molecular Weight546.67 g/mol
Exact Mass546.21
IUPAC Name3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine
SMILES[C-]#[N+]c1cncc(-c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3-4)c2)c1
InChIInChI=1S/C41H26N2/c1-42-35-24-32(26-43-27-35)30-13-10-12-29(23-30)31-19-21-37-39(25-31)41(33-14-4-2-5-15-33,34-16-6-3-7-17-34)38-22-20-28-11-8-9-18-36(28)40(37)38/h2-27H
InChIKeyIGYQXCFICWWXCJ-UHFFFAOYSA-N
XLogP10.48
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-isocyano-5-[3-(5-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine
CID 140769113
9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034390
7-(4-methylphenyl)-7-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 144583282
4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile
CID 157459321
2-[3-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450602
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
9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene
CID 144924595
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[3-[4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 170256279
2-[3-(7-isocyano-9,9-diphenylfluoren-4-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 162776463
4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 168777357
2,4-bis(3-phenylphenyl)-6-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134574249

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine?
The IUPAC name of 3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine (CID 140768911) is 3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine.
What is the SMILES notation for 3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine?
The canonical SMILES for 3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine is [C-]#[N+]c1cncc(-c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3-4)c2)c1.
What is the InChIKey of 3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine?
The InChIKey is IGYQXCFICWWXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2/c1-42-35-24-32(26-43-27-35)30-13-10-12-29(23-30)31-19-21-37-39(25-31)41(33-14-4-2-5-15-33,34-16-6-3-7-17-34)38-22-20-28-11-8-9-18-36(28)40(37)38/h2-27H.
What are the key properties of 3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine?
3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine has a molecular weight of 546.67 g/mol, XLogP of 10.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine is sourced from PubChem (CID 140768911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).