1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]

C37H23Cl — CID 156896822

IUPAC1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
SMILESClc1ccc(-c2cccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C37H23Cl/c38-27-21-19-24(20-22-27)25-9-7-10-26(23-25)28-14-8-15-32-31-13-3-6-18-35(31)37(36(28)32)33-16-4-1-11-29(33)30-12-2-5-17-34(30)37/h1-23H
InChIKeyMKBIUXHJTWSIFB-UHFFFAOYSA-N
MW503.04 g/mol
LogP10.02
Rot. Bonds2

About 1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]

1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene] (PubChem CID 156896822) has the molecular formula C37H23Cl and a molecular weight of 503.04 g/mol. Its IUPAC name is 1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
PubChem CID156896822
Molecular FormulaC37H23Cl
Molecular Weight503.04 g/mol
Exact Mass502.15
IUPAC Name1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
SMILESClc1ccc(-c2cccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C37H23Cl/c38-27-21-19-24(20-22-27)25-9-7-10-26(23-25)28-14-8-15-32-31-13-3-6-18-35(31)37(36(28)32)33-16-4-1-11-29(33)30-12-2-5-17-34(30)37/h1-23H
InChIKeyMKBIUXHJTWSIFB-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

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

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Related Compounds

1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380122
1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]
CID 156896575
2,4-bis(3-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 90059518
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',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 146648923
9-[2-(4-chlorophenyl)phenyl]-2,7-bis(3-phenylphenyl)fluoren-9-ol
CID 155407363
4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 165158281
1-(4-chlorophenyl)-9,9-dimethylfluorene
CID 118193752
1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380139
N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline
CID 130380030
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene] (CID 156896822) is 1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene] is Clc1ccc(-c2cccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1.
What is the InChIKey of 1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is MKBIUXHJTWSIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23Cl/c38-27-21-19-24(20-22-27)25-9-7-10-26(23-25)28-14-8-15-32-31-13-3-6-18-35(31)37(36(28)32)33-16-4-1-11-29(33)30-12-2-5-17-34(30)37/h1-23H.
What are the key properties of 1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]?
1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 503.04 g/mol, XLogP of 10.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 156896822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).