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]

C37H23Cl — CID 130264027

IUPAC2-(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]
SMILESClc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C37H23Cl/c38-26-20-17-24(18-21-26)25-19-22-32-31-13-5-8-16-35(31)37(36(32)23-25)33-14-6-3-11-29(33)27-9-1-2-10-28(27)30-12-4-7-15-34(30)37/h1-23H
InChIKeySAPPOKPWGBLCPN-UHFFFAOYSA-N
MW503.04 g/mol
LogP10.02
Rot. Bonds1

About 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]

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] (PubChem CID 130264027) has the molecular formula C37H23Cl and a molecular weight of 503.04 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name2-(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]
PubChem CID130264027
Molecular FormulaC37H23Cl
Molecular Weight503.04 g/mol
Exact Mass502.15
IUPAC Name2-(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]
SMILESClc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C37H23Cl/c38-26-20-17-24(18-21-26)25-19-22-32-31-13-5-8-16-35(31)37(36(32)23-25)33-14-6-3-11-29(33)27-9-1-2-10-28(27)30-12-4-7-15-34(30)37/h1-23H
InChIKeySAPPOKPWGBLCPN-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.04
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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] with MolForge

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Related Compounds

2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
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
CID 102192841
CID 102192841
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 164783629
1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156896822
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
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-(4-chlorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
CID 138606986
2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
CID 155235359
4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 168750793

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is Clc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 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]?
The InChIKey is SAPPOKPWGBLCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23Cl/c38-26-20-17-24(18-21-26)25-19-22-32-31-13-5-8-16-35(31)37(36(32)23-25)33-14-6-3-11-29(33)27-9-1-2-10-28(27)30-12-4-7-15-34(30)37/h1-23H.
What are the key properties of 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]?
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] has a molecular weight of 503.04 g/mol, XLogP of 10.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 130264027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).