2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene

C37H27I — CID 126546625

IUPAC2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(-c4cccc5ccc(I)cc45)cc32)cc1
InChIInChI=1S/C37H27I/c1-24-10-16-28(17-11-24)37(29-18-12-25(2)13-19-29)35-9-4-3-7-32(35)33-21-15-27(22-36(33)37)31-8-5-6-26-14-20-30(38)23-34(26)31/h3-23H,1-2H3
InChIKeyMRKNYYNITSZSTQ-UHFFFAOYSA-N
MW598.53 g/mol
LogP10.09
Rot. Bonds3

About 2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene

2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene (PubChem CID 126546625) has the molecular formula C37H27I and a molecular weight of 598.53 g/mol. Its IUPAC name is 2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene.

Molecular Properties

Compound Name2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene
PubChem CID126546625
Molecular FormulaC37H27I
Molecular Weight598.53 g/mol
Exact Mass598.12
IUPAC Name2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(-c4cccc5ccc(I)cc45)cc32)cc1
InChIInChI=1S/C37H27I/c1-24-10-16-28(17-11-24)37(29-18-12-25(2)13-19-29)35-9-4-3-7-32(35)33-21-15-27(22-36(33)37)31-8-5-6-26-14-20-30(38)23-34(26)31/h3-23H,1-2H3
InChIKeyMRKNYYNITSZSTQ-UHFFFAOYSA-N
XLogP10.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.53
LogP ≤ 510.09
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-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene
CID 126546647
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 145303553
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene
CID 59859297
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
5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene
CID 123832328
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene
CID 58795266
2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene
CID 58795272
2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene
CID 144920292

Frequently Asked Questions

What is the IUPAC name of 2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene?
The IUPAC name of 2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene (CID 126546625) is 2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene.
What is the SMILES notation for 2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene?
The canonical SMILES for 2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene is Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(-c4cccc5ccc(I)cc45)cc32)cc1.
What is the InChIKey of 2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene?
The InChIKey is MRKNYYNITSZSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27I/c1-24-10-16-28(17-11-24)37(29-18-12-25(2)13-19-29)35-9-4-3-7-32(35)33-21-15-27(22-36(33)37)31-8-5-6-26-14-20-30(38)23-34(26)31/h3-23H,1-2H3.
What are the key properties of 2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene?
2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene has a molecular weight of 598.53 g/mol, XLogP of 10.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene is sourced from PubChem (CID 126546625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).