1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene

C62H42Br2 — CID 161028851

IUPAC1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene
SMILESBrc1ccccc1-c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Brc1ccccc1-c1cccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/2C31H21Br/c32-29-21-10-8-16-24(29)25-18-11-20-28-30(25)26-17-7-9-19-27(26)31(28,22-12-3-1-4-13-22)23-14-5-2-6-15-23;32-29-21-10-8-17-25(29)27-19-11-18-26-24-16-7-9-20-28(24)31(30(26)27,22-12-3-1-4-13-22)23-14-5-2-6-15-23/h2*1-21H
InChIKeyTZINJJFPRKELNQ-UHFFFAOYSA-N
MW946.83 g/mol
LogP16.96
Rot. Bonds6

About 1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene

1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene (PubChem CID 161028851) has the molecular formula C62H42Br2 and a molecular weight of 946.83 g/mol. Its IUPAC name is 1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene.

Molecular Properties

Compound Name1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene
PubChem CID161028851
Molecular FormulaC62H42Br2
Molecular Weight946.83 g/mol
Exact Mass944.17
IUPAC Name1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene
SMILESBrc1ccccc1-c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Brc1ccccc1-c1cccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/2C31H21Br/c32-29-21-10-8-16-24(29)25-18-11-20-28-30(25)26-17-7-9-19-27(26)31(28,22-12-3-1-4-13-22)23-14-5-2-6-15-23;32-29-21-10-8-17-25(29)27-19-11-18-26-24-16-7-9-20-28(24)31(30(26)27,22-12-3-1-4-13-22)23-14-5-2-6-15-23/h2*1-21H
InChIKeyTZINJJFPRKELNQ-UHFFFAOYSA-N
XLogP16.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.83
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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-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-(4-bromophenyl)-9,9-diphenylfluorene
CID 172845574
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
CID 102532137
CID 102532137
4-methyl-9,9-diphenylfluorene
CID 123595050
1-fluoro-9,9-diphenylfluorene
CID 170080544
1-(4-methylphenyl)-9,9-diphenylfluorene
CID 123914511
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene
CID 123797227
9,9-diphenylfluorene;propane
CID 158205050

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene?
The IUPAC name of 1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene (CID 161028851) is 1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene.
What is the SMILES notation for 1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene?
The canonical SMILES for 1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene is Brc1ccccc1-c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.Brc1ccccc1-c1cccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene?
The InChIKey is TZINJJFPRKELNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H21Br/c32-29-21-10-8-16-24(29)25-18-11-20-28-30(25)26-17-7-9-19-27(26)31(28,22-12-3-1-4-13-22)23-14-5-2-6-15-23;32-29-21-10-8-17-25(29)27-19-11-18-26-24-16-7-9-20-28(24)31(30(26)27,22-12-3-1-4-13-22)23-14-5-2-6-15-23/h2*1-21H.
What are the key properties of 1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene?
1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene has a molecular weight of 946.83 g/mol, XLogP of 16.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene is sourced from PubChem (CID 161028851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).