1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene

C50H37I — CID 144939123

IUPAC1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene
SMILESCc1ccc2ccc(-c3ccc4c(c3)C(C)(c3cccc5c3-c3cccc(-c6ccc7ccc(I)cc7c6)c3C5(C)C)c3ccccc3-4)cc2c1
InChIInChI=1S/C50H37I/c1-30-15-16-31-17-19-33(26-36(31)25-30)34-22-24-41-40-9-5-6-12-43(40)50(4,46(41)29-34)45-14-8-13-44-47(45)42-11-7-10-39(48(42)49(44,2)3)35-20-18-32-21-23-38(51)28-37(32)27-35/h5-29H,1-4H3
InChIKeyRUKFDFMXGTUEPQ-UHFFFAOYSA-N
MW764.75 g/mol
LogP13.88
Rot. Bonds3

About 1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene

1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene (PubChem CID 144939123) has the molecular formula C50H37I and a molecular weight of 764.75 g/mol. Its IUPAC name is 1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene.

Molecular Properties

Compound Name1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene
PubChem CID144939123
Molecular FormulaC50H37I
Molecular Weight764.75 g/mol
Exact Mass764.19
IUPAC Name1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene
SMILESCc1ccc2ccc(-c3ccc4c(c3)C(C)(c3cccc5c3-c3cccc(-c6ccc7ccc(I)cc7c6)c3C5(C)C)c3ccccc3-4)cc2c1
InChIInChI=1S/C50H37I/c1-30-15-16-31-17-19-33(26-36(31)25-30)34-22-24-41-40-9-5-6-12-43(40)50(4,46(41)29-34)45-14-8-13-44-47(45)42-11-7-10-39(48(42)49(44,2)3)35-20-18-32-21-23-38(51)28-37(32)27-35/h5-29H,1-4H3
InChIKeyRUKFDFMXGTUEPQ-UHFFFAOYSA-N
XLogP13.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.75
LogP ≤ 513.88
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

9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene
CID 123751329
2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene
CID 126546647
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene
CID 126546625
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 170215627
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene
CID 140710807
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
14-(9,9-dimethylfluoren-1-yl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-3-yl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(5-methyl-2-phenylphenyl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
CID 159685197
2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580

Frequently Asked Questions

What is the IUPAC name of 1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene?
The IUPAC name of 1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene (CID 144939123) is 1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene.
What is the SMILES notation for 1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene?
The canonical SMILES for 1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene is Cc1ccc2ccc(-c3ccc4c(c3)C(C)(c3cccc5c3-c3cccc(-c6ccc7ccc(I)cc7c6)c3C5(C)C)c3ccccc3-4)cc2c1.
What is the InChIKey of 1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene?
The InChIKey is RUKFDFMXGTUEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37I/c1-30-15-16-31-17-19-33(26-36(31)25-30)34-22-24-41-40-9-5-6-12-43(40)50(4,46(41)29-34)45-14-8-13-44-47(45)42-11-7-10-39(48(42)49(44,2)3)35-20-18-32-21-23-38(51)28-37(32)27-35/h5-29H,1-4H3.
What are the key properties of 1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene?
1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene has a molecular weight of 764.75 g/mol, XLogP of 13.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene is sourced from PubChem (CID 144939123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).