2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide

C35H25I — CID 144939232

IUPAC2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
SMILESI.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C35H24.HI/c1-3-14-27(15-4-1)35(28-16-5-2-6-17-28)33-21-10-9-19-31(33)32-23-22-26(24-34(32)35)30-20-11-13-25-12-7-8-18-29(25)30;/h1-24H;1H
InChIKeyBSTJMLBUTXRTPD-UHFFFAOYSA-N
MW572.49 g/mol
LogP9.49
Rot. Bonds3

About 2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide

2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide (PubChem CID 144939232) has the molecular formula C35H25I and a molecular weight of 572.49 g/mol. Its IUPAC name is 2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide.

Molecular Properties

Compound Name2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
PubChem CID144939232
Molecular FormulaC35H25I
Molecular Weight572.49 g/mol
Exact Mass572.10
IUPAC Name2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
SMILESI.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C35H24.HI/c1-3-14-27(15-4-1)35(28-16-5-2-6-17-28)33-21-10-9-19-31(33)32-23-22-26(24-34(32)35)30-20-11-13-25-12-7-8-18-29(25)30;/h1-24H;1H
InChIKeyBSTJMLBUTXRTPD-UHFFFAOYSA-N
XLogP9.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.49
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 145303553
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896564
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
2-naphthalen-1-ylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 140873354
2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine
CID 141492916
2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline
CID 134596702

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide?
The IUPAC name of 2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide (CID 144939232) is 2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide.
What is the SMILES notation for 2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide?
The canonical SMILES for 2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide is I.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc5ccccc45)cc32)cc1.
What is the InChIKey of 2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide?
The InChIKey is BSTJMLBUTXRTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24.HI/c1-3-14-27(15-4-1)35(28-16-5-2-6-17-28)33-21-10-9-19-31(33)32-23-22-26(24-34(32)35)30-20-11-13-25-12-7-8-18-29(25)30;/h1-24H;1H.
What are the key properties of 2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide?
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide has a molecular weight of 572.49 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide is sourced from PubChem (CID 144939232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).