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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Related Compounds

[4-[3,8-dibromo-6-(4-methylphenyl)benzo[c]chromen-6-yl]phenyl] trifluoromethanesulfonate
CID 88917843
3,8-dibromo-6-(4-methylphenyl)-6-(4-octoxyphenyl)benzo[c]chromene
CID 59561084
9-(4-tert-butylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 58371098
N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59398831
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N-[4-(4-tert-butylphenyl)phenyl]-4-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine
CID 59480578
2,7-dibromo-9,10-bis(4-tert-butylphenyl)phenanthrene-9,10-diol;2,7-dibromo-10,10-bis(4-tert-butylphenyl)phenanthren-9-one
CID 159551451
2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine
CID 59480532
2-[12-[2-[bis(trifluoromethyl)amino]ethyl]-2,8-dibromo-6,6-bis(4-tert-butylphenyl)indeno[1,2-b]fluoren-12-yl]-N,N-bis(trifluoromethyl)ethanamine
CID 88552420
2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
CID 58371139
CID 88907804
CID 88907804
2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane
CID 157036733

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).