2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]

C33H21Cl — CID 134253365

IUPAC2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]
SMILESClc1ccc2c(c1)C1(c3ccccc3C=Cc3ccc(-c4ccccc4)cc31)c1ccccc1-2
InChIInChI=1S/C33H21Cl/c34-26-18-19-28-27-11-5-7-13-30(27)33(32(28)21-26)29-12-6-4-10-23(29)14-15-24-16-17-25(20-31(24)33)22-8-2-1-3-9-22/h1-21H
InChIKeyPODRVTYCHKVTPR-UHFFFAOYSA-N
MW452.98 g/mol
LogP8.85
Rot. Bonds1

About 2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]

2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene] (PubChem CID 134253365) has the molecular formula C33H21Cl and a molecular weight of 452.98 g/mol. Its IUPAC name is 2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene].

Molecular Properties

Compound Name2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]
PubChem CID134253365
Molecular FormulaC33H21Cl
Molecular Weight452.98 g/mol
Exact Mass452.13
IUPAC Name2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]
SMILESClc1ccc2c(c1)C1(c3ccccc3C=Cc3ccc(-c4ccccc4)cc31)c1ccccc1-2
InChIInChI=1S/C33H21Cl/c34-26-18-19-28-27-11-5-7-13-30(27)33(32(28)21-26)29-12-6-4-10-23(29)14-15-24-16-17-25(20-31(24)33)22-8-2-1-3-9-22/h1-21H
InChIKeyPODRVTYCHKVTPR-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.98
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
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
4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline
CID 130260406
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260790
2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
CID 155235359
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-1,3,5-triazine
CID 134253240
3-chloro-5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]
CID 134253370
CID 102192841
CID 102192841
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 134253350

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]?
The IUPAC name of 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) is 2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene].
What is the SMILES notation for 2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]?
The canonical SMILES for 2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene] is Clc1ccc2c(c1)C1(c3ccccc3C=Cc3ccc(-c4ccccc4)cc31)c1ccccc1-2.
What is the InChIKey of 2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]?
The InChIKey is PODRVTYCHKVTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21Cl/c34-26-18-19-28-27-11-5-7-13-30(27)33(32(28)21-26)29-12-6-4-10-23(29)14-15-24-16-17-25(20-31(24)33)22-8-2-1-3-9-22/h1-21H.
What are the key properties of 2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]?
2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene] has a molecular weight of 452.98 g/mol, XLogP of 8.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene] is sourced from PubChem (CID 134253365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).