CID 102192841

C44H22Cl4 — CID 102192841

IUPAC—
SMILESClc1ccc2c(c1)C1(c3ccccc3-c3cc4c(cc31)-c1ccccc1C41c3cc(Cl)ccc3-c3ccc(Cl)cc31)c1cc(Cl)ccc1-2
InChIInChI=1S/C44H22Cl4/c45-23-9-13-29-30-14-10-24(46)18-38(30)43(37(29)17-23)35-7-3-1-5-27(35)33-21-42-34(22-41(33)43)28-6-2-4-8-36(28)44(42)39-19-25(47)11-15-31(39)32-16-12-26(48)20-40(32)44/h1-22H
InChIKeyRAGHGNBJQYDAMB-UHFFFAOYSA-N
MW692.47 g/mol
LogP12.99
Rot. Bonds

About CID 102192841

CID 102192841 (PubChem CID 102192841) has the molecular formula C44H22Cl4 and a molecular weight of 692.47 g/mol.

Molecular Properties

Compound NameCID 102192841
PubChem CID102192841
Molecular FormulaC44H22Cl4
Molecular Weight692.47 g/mol
Exact Mass690.05
IUPAC Name—
SMILESClc1ccc2c(c1)C1(c3ccccc3-c3cc4c(cc31)-c1ccccc1C41c3cc(Cl)ccc3-c3ccc(Cl)cc31)c1cc(Cl)ccc1-2
InChIInChI=1S/C44H22Cl4/c45-23-9-13-29-30-14-10-24(46)18-38(30)43(37(29)17-23)35-7-3-1-5-27(35)33-21-42-34(22-41(33)43)28-6-2-4-8-36(28)44(42)39-19-25(47)11-15-31(39)32-16-12-26(48)20-40(32)44/h1-22H
InChIKeyRAGHGNBJQYDAMB-UHFFFAOYSA-N
XLogP12.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.47
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 154935196
2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 137448777
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027
2-chloro-11-N',11-N',17-N',17-N'-tetraphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130263577
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260790
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 155407262
3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol
CID 145358393
CID 58607554
CID 58607554
2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]
CID 134253365

Frequently Asked Questions

What is the IUPAC name of CID 102192841?
The IUPAC name of CID 102192841 (CID 102192841) is not available.
What is the SMILES notation for CID 102192841?
The canonical SMILES for CID 102192841 is Clc1ccc2c(c1)C1(c3ccccc3-c3cc4c(cc31)-c1ccccc1C41c3cc(Cl)ccc3-c3ccc(Cl)cc31)c1cc(Cl)ccc1-2.
What is the InChIKey of CID 102192841?
The InChIKey is RAGHGNBJQYDAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H22Cl4/c45-23-9-13-29-30-14-10-24(46)18-38(30)43(37(29)17-23)35-7-3-1-5-27(35)33-21-42-34(22-41(33)43)28-6-2-4-8-36(28)44(42)39-19-25(47)11-15-31(39)32-16-12-26(48)20-40(32)44/h1-22H.
What are the key properties of CID 102192841?
CID 102192841 has a molecular weight of 692.47 g/mol, XLogP of 12.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102192841 is sourced from PubChem (CID 102192841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).