8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene

C34H35BrO — CID 59449412

IUPAC8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene
SMILESCc1ccc2c(c1)OC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc(Br)ccc1-2
InChIInChI=1S/C34H35BrO/c1-22-8-18-29-28-19-17-27(35)21-30(28)34(36-31(29)20-22,25-13-9-23(10-14-25)32(2,3)4)26-15-11-24(12-16-26)33(5,6)7/h8-21H,1-7H3
InChIKeyZVPXJRGELSYZPH-UHFFFAOYSA-N
MW539.56 g/mol
LogP9.70
Rot. Bonds2

About 8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene

8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene (PubChem CID 59449412) has the molecular formula C34H35BrO and a molecular weight of 539.56 g/mol. Its IUPAC name is 8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene.

Molecular Properties

Compound Name8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene
PubChem CID59449412
Molecular FormulaC34H35BrO
Molecular Weight539.56 g/mol
Exact Mass538.19
IUPAC Name8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene
SMILESCc1ccc2c(c1)OC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc(Br)ccc1-2
InChIInChI=1S/C34H35BrO/c1-22-8-18-29-28-19-17-27(35)21-30(28)34(36-31(29)20-22,25-13-9-23(10-14-25)32(2,3)4)26-15-11-24(12-16-26)33(5,6)7/h8-21H,1-7H3
InChIKeyZVPXJRGELSYZPH-UHFFFAOYSA-N
XLogP9.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.56
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene?
The IUPAC name of 8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene (CID 59449412) is 8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene.
What is the SMILES notation for 8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene?
The canonical SMILES for 8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene is Cc1ccc2c(c1)OC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc(Br)ccc1-2.
What is the InChIKey of 8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene?
The InChIKey is ZVPXJRGELSYZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35BrO/c1-22-8-18-29-28-19-17-27(35)21-30(28)34(36-31(29)20-22,25-13-9-23(10-14-25)32(2,3)4)26-15-11-24(12-16-26)33(5,6)7/h8-21H,1-7H3.
What are the key properties of 8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene?
8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene has a molecular weight of 539.56 g/mol, XLogP of 9.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6,6-bis(4-tert-butylphenyl)-3-methylbenzo[c]chromene is sourced from PubChem (CID 59449412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).