9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]

C33H33Br — CID 118360866

IUPAC9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]
SMILESCc1c(C)c(C)c(-c2cc3c(c4ccccc24)-c2ccc(Br)cc2C32CCCCC2)c(C)c1C
InChIInChI=1S/C33H33Br/c1-19-20(2)22(4)31(23(5)21(19)3)28-18-30-32(26-12-8-7-11-25(26)28)27-14-13-24(34)17-29(27)33(30)15-9-6-10-16-33/h7-8,11-14,17-18H,6,9-10,15-16H2,1-5H3
InChIKeySRJPAXZUJSQHBH-UHFFFAOYSA-N
MW509.53 g/mol
LogP10.04
Rot. Bonds1

About 9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]

9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane] (PubChem CID 118360866) has the molecular formula C33H33Br and a molecular weight of 509.53 g/mol. Its IUPAC name is 9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane].

Molecular Properties

Compound Name9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]
PubChem CID118360866
Molecular FormulaC33H33Br
Molecular Weight509.53 g/mol
Exact Mass508.18
IUPAC Name9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]
SMILESCc1c(C)c(C)c(-c2cc3c(c4ccccc24)-c2ccc(Br)cc2C32CCCCC2)c(C)c1C
InChIInChI=1S/C33H33Br/c1-19-20(2)22(4)31(23(5)21(19)3)28-18-30-32(26-12-8-7-11-25(26)28)27-14-13-24(34)17-29(27)33(30)15-9-6-10-16-33/h7-8,11-14,17-18H,6,9-10,15-16H2,1-5H3
InChIKeySRJPAXZUJSQHBH-UHFFFAOYSA-N
XLogP10.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.53
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 59243882
5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 90277873
5-ethylspiro[benzo[c]fluorene-7,1'-cyclopentane]
CID 143561125
5-(2-nitrophenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 150135063
5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium]
CID 11728918
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 123260279
2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
CID 59318763
2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene]
CID 89459013
2'-tert-butylspiro[cyclohexane-1,9'-fluorene]
CID 168798514
12',12'-dimethylspiro[cyclohexane-1,22'-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene]
CID 164817979
2-bromo-7-methylspiro[fluorene-9,4'-piperidine]
CID 122492124
9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene
CID 154966229

Frequently Asked Questions

What is the IUPAC name of 9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]?
The IUPAC name of 9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane] (CID 118360866) is 9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane].
What is the SMILES notation for 9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]?
The canonical SMILES for 9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane] is Cc1c(C)c(C)c(-c2cc3c(c4ccccc24)-c2ccc(Br)cc2C32CCCCC2)c(C)c1C.
What is the InChIKey of 9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]?
The InChIKey is SRJPAXZUJSQHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33Br/c1-19-20(2)22(4)31(23(5)21(19)3)28-18-30-32(26-12-8-7-11-25(26)28)27-14-13-24(34)17-29(27)33(30)15-9-6-10-16-33/h7-8,11-14,17-18H,6,9-10,15-16H2,1-5H3.
What are the key properties of 9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]?
9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane] has a molecular weight of 509.53 g/mol, XLogP of 10.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane] is sourced from PubChem (CID 118360866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).