CID 101127293

C36H20I2 — CID 101127293

IUPAC—
SMILESIc1c2c(c(I)c3ccccc13)C1(c3ccccc3-c3ccccc31)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C36H20I2/c37-33-25-15-1-2-16-26(25)34(38)32-31(33)35(27-17-7-3-11-21(27)22-12-4-8-18-28(22)35)36(32)29-19-9-5-13-23(29)24-14-6-10-20-30(24)36/h1-20H
InChIKeyNXJJZLSPWXXEOG-UHFFFAOYSA-N
MW706.36 g/mol
LogP9.69
Rot. Bonds

About CID 101127293

CID 101127293 (PubChem CID 101127293) has the molecular formula C36H20I2 and a molecular weight of 706.36 g/mol.

Molecular Properties

Compound NameCID 101127293
PubChem CID101127293
Molecular FormulaC36H20I2
Molecular Weight706.36 g/mol
Exact Mass705.97
IUPAC Name—
SMILESIc1c2c(c(I)c3ccccc13)C1(c3ccccc3-c3ccccc31)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C36H20I2/c37-33-25-15-1-2-16-26(25)34(38)32-31(33)35(27-17-7-3-11-21(27)22-12-4-8-18-28(22)35)36(32)29-19-9-5-13-23(29)24-14-6-10-20-30(24)36/h1-20H
InChIKeyNXJJZLSPWXXEOG-UHFFFAOYSA-N
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.36
LogP ≤ 59.69
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

nonacyclo[12.12.9.127,31.01,14.02,7.08,13.015,20.021,26.035,36]hexatriaconta-2,4,6,8,10,12,15,17,19,21,23,25,27,29,31(36),32,34-heptadecaene
CID 101134797
9,9-dinaphthalen-1-ylfluorene
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spiro[fluorene-9,16'-heptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene]
CID 155624644
5-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144911
CID 101264083
CID 101264083
9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene
CID 170621532
9-anthracen-9-ylfluoren-9-ol
CID 72942304
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
CID 140863591
CID 140863591
3-methylspiro[azirine-2,9'-fluorene]
CID 13480601
2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 139891134

Frequently Asked Questions

What is the IUPAC name of CID 101127293?
The IUPAC name of CID 101127293 (CID 101127293) is not available.
What is the SMILES notation for CID 101127293?
The canonical SMILES for CID 101127293 is Ic1c2c(c(I)c3ccccc13)C1(c3ccccc3-c3ccccc31)C21c2ccccc2-c2ccccc21.
What is the InChIKey of CID 101127293?
The InChIKey is NXJJZLSPWXXEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20I2/c37-33-25-15-1-2-16-26(25)34(38)32-31(33)35(27-17-7-3-11-21(27)22-12-4-8-18-28(22)35)36(32)29-19-9-5-13-23(29)24-14-6-10-20-30(24)36/h1-20H.
What are the key properties of CID 101127293?
CID 101127293 has a molecular weight of 706.36 g/mol, XLogP of 9.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101127293 is sourced from PubChem (CID 101127293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).