9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene

C35H25I — CID 126546614

IUPAC9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene
SMILESIc1ccc2ccc(-c3ccc4c(c3)C(c3ccccc3)(C3C=CC=CC3)c3ccccc3-4)cc2c1
InChIInChI=1S/C35H25I/c36-30-19-17-24-15-16-25(21-27(24)22-30)26-18-20-32-31-13-7-8-14-33(31)35(34(32)23-26,28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-11,13-23,29H,12H2
InChIKeyLAXPCXBUTBCCRY-UHFFFAOYSA-N
MW572.49 g/mol
LogP9.56
Rot. Bonds3

About 9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene

9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene (PubChem CID 126546614) has the molecular formula C35H25I and a molecular weight of 572.49 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene.

Molecular Properties

Compound Name9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene
PubChem CID126546614
Molecular FormulaC35H25I
Molecular Weight572.49 g/mol
Exact Mass572.10
IUPAC Name9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene
SMILESIc1ccc2ccc(-c3ccc4c(c3)C(c3ccccc3)(C3C=CC=CC3)c3ccccc3-4)cc2c1
InChIInChI=1S/C35H25I/c36-30-19-17-24-15-16-25(21-27(24)22-30)26-18-20-32-31-13-7-8-14-33(31)35(34(32)23-26,28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-11,13-23,29H,12H2
InChIKeyLAXPCXBUTBCCRY-UHFFFAOYSA-N
XLogP9.56
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 ≤ 59.56
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-[4-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;9,9-diphenyl-2-(4-phenylphenyl)fluorene;2,4-diphenylpyridine
CID 160598158
N-[4-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558180
9-cyclohexa-2,4-dien-1-yl-9-phenyl-N-[3-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558937
9-cyclohexa-2,4-dien-1-yl-N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140995
9-cyclohexa-2,4-dien-1-yl-N-[4-(7-methyl-9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166777833
9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine
CID 139355218
4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 144995098
5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole
CID 134447579
9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 118462727
9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 134194356
N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene
CID 144741257
N-[4-[4-[3,4-bis[(1Z)-buta-1,3-dienyl]phenyl]phenyl]phenyl]-9-cyclohexa-2,4-dien-1-yl-9-phenyl-N-(2,3,5,6-tetradeuterio-4-hexa-1,5-dien-2-ylphenyl)fluoren-2-amine
CID 153471068

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene?
The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene (CID 126546614) is 9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene.
What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene?
The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene is Ic1ccc2ccc(-c3ccc4c(c3)C(c3ccccc3)(C3C=CC=CC3)c3ccccc3-4)cc2c1.
What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene?
The InChIKey is LAXPCXBUTBCCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25I/c36-30-19-17-24-15-16-25(21-27(24)22-30)26-18-20-32-31-13-7-8-14-33(31)35(34(32)23-26,28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-11,13-23,29H,12H2.
What are the key properties of 9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene?
9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene has a molecular weight of 572.49 g/mol, XLogP of 9.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-2,4-dien-1-yl-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene is sourced from PubChem (CID 126546614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).