4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene

C25H15Br — CID 123797227

IUPAC4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene
SMILESBrc1cccc2c1-c1ccccc1C2(C1=C=C=CC=C1)c1ccccc1
InChIInChI=1S/C25H15Br/c26-23-17-9-16-22-24(23)20-14-7-8-15-21(20)25(22,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-5,7-12,14-17H
InChIKeyYSMWFDFXTMXHPF-UHFFFAOYSA-N
MW395.30 g/mol
LogP6.57
Rot. Bonds2

About 4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene

4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene (PubChem CID 123797227) has the molecular formula C25H15Br and a molecular weight of 395.30 g/mol. Its IUPAC name is 4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene.

Molecular Properties

Compound Name4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene
PubChem CID123797227
Molecular FormulaC25H15Br
Molecular Weight395.30 g/mol
Exact Mass394.04
IUPAC Name4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene
SMILESBrc1cccc2c1-c1ccccc1C2(C1=C=C=CC=C1)c1ccccc1
InChIInChI=1S/C25H15Br/c26-23-17-9-16-22-24(23)20-14-7-8-15-21(20)25(22,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-5,7-12,14-17H
InChIKeyYSMWFDFXTMXHPF-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.30
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene
CID 161028851
4'-bromo-4-chloro-9,9'-spirobi[fluorene]
CID 139434314
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline
CID 129302449
4-methyl-9,9-diphenylfluorene
CID 123595050
4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran
CID 142453719
4-bromospiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 134528270
4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 141481966
N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118193744
16-bromo-10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 138574315

Frequently Asked Questions

What is the IUPAC name of 4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene?
The IUPAC name of 4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene (CID 123797227) is 4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene.
What is the SMILES notation for 4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene?
The canonical SMILES for 4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene is Brc1cccc2c1-c1ccccc1C2(C1=C=C=CC=C1)c1ccccc1.
What is the InChIKey of 4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene?
The InChIKey is YSMWFDFXTMXHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Br/c26-23-17-9-16-22-24(23)20-14-7-8-15-21(20)25(22,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-5,7-12,14-17H.
What are the key properties of 4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene?
4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene has a molecular weight of 395.30 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene is sourced from PubChem (CID 123797227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).