9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol

C68H51Br3O2 — CID 158036392

IUPAC9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol
SMILESBrc1ccc2c(c1)CC2.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccc(Br)cc32)cc1.Cc1ccc(C2(c3ccc(Oc4ccc5c(c4)CC5)cc3)c3ccccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C34H25BrO.C26H19BrO.C8H7Br/c1-22-6-11-25(12-7-22)34(32-5-3-2-4-30(32)31-19-15-27(35)21-33(31)34)26-13-17-28(18-14-26)36-29-16-10-23-8-9-24(23)20-29;1-17-6-8-18(9-7-17)26(19-10-13-21(28)14-11-19)24-5-3-2-4-22(24)23-15-12-20(27)16-25(23)26;9-8-4-3-6-1-2-7(6)5-8/h2-7,10-21H,8-9H2,1H3;2-16,28H,1H3;3-5H,1-2H2
InChIKeyFHUJTSVAPHVIBN-UHFFFAOYSA-N
MW1139.87 g/mol
LogP18.39
Rot. Bonds6

About 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol

9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol (PubChem CID 158036392) has the molecular formula C68H51Br3O2 and a molecular weight of 1139.87 g/mol. Its IUPAC name is 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol
PubChem CID158036392
Molecular FormulaC68H51Br3O2
Molecular Weight1139.87 g/mol
Exact Mass1136.14
IUPAC Name9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol
SMILESBrc1ccc2c(c1)CC2.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccc(Br)cc32)cc1.Cc1ccc(C2(c3ccc(Oc4ccc5c(c4)CC5)cc3)c3ccccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C34H25BrO.C26H19BrO.C8H7Br/c1-22-6-11-25(12-7-22)34(32-5-3-2-4-30(32)31-19-15-27(35)21-33(31)34)26-13-17-28(18-14-26)36-29-16-10-23-8-9-24(23)20-29;1-17-6-8-18(9-7-17)26(19-10-13-21(28)14-11-19)24-5-3-2-4-22(24)23-15-12-20(27)16-25(23)26;9-8-4-3-6-1-2-7(6)5-8/h2-7,10-21H,8-9H2,1H3;2-16,28H,1H3;3-5H,1-2H2
InChIKeyFHUJTSVAPHVIBN-UHFFFAOYSA-N
XLogP18.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001139.87
LogP ≤ 518.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol with MolForge

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Related Compounds

2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine
CID 167019644
4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol
CID 174433449
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine
CID 146516566
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
3-bromo-9,10-bis(4-methylphenyl)phenanthrene-9,10-diol
CID 142739230
[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone
CID 158080049
4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol
CID 154985556
4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol
CID 171415364
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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol?
The IUPAC name of 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol (CID 158036392) is 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol is Brc1ccc2c(c1)CC2.Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccc(Br)cc32)cc1.Cc1ccc(C2(c3ccc(Oc4ccc5c(c4)CC5)cc3)c3ccccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol?
The InChIKey is FHUJTSVAPHVIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25BrO.C26H19BrO.C8H7Br/c1-22-6-11-25(12-7-22)34(32-5-3-2-4-30(32)31-19-15-27(35)21-33(31)34)26-13-17-28(18-14-26)36-29-16-10-23-8-9-24(23)20-29;1-17-6-8-18(9-7-17)26(19-10-13-21(28)14-11-19)24-5-3-2-4-22(24)23-15-12-20(27)16-25(23)26;9-8-4-3-6-1-2-7(6)5-8/h2-7,10-21H,8-9H2,1H3;2-16,28H,1H3;3-5H,1-2H2.
What are the key properties of 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol?
9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol has a molecular weight of 1139.87 g/mol, XLogP of 18.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 158036392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).