1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol

C63H42Br2O3 — CID 157401730

IUPAC1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
SMILESBrc1ccc(-c2ccc(Br)cc2)cc1.O=C1c2ccccc2-c2ccccc21.OC1(c2ccc(-c3ccc(C4(O)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C38H26O2.C13H8O.C12H8Br2/c39-37(33-13-5-1-9-29(33)30-10-2-6-14-34(30)37)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38(40)35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-24,39-40H;2*1-8H
InChIKeyBNGCHQKAWUCIJX-UHFFFAOYSA-N
MW1006.83 g/mol
LogP15.66
Rot. Bonds4

About 1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol

1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol (PubChem CID 157401730) has the molecular formula C63H42Br2O3 and a molecular weight of 1006.83 g/mol. Its IUPAC name is 1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol.

Molecular Properties

Compound Name1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
PubChem CID157401730
Molecular FormulaC63H42Br2O3
Molecular Weight1006.83 g/mol
Exact Mass1004.15
IUPAC Name1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
SMILESBrc1ccc(-c2ccc(Br)cc2)cc1.O=C1c2ccccc2-c2ccccc21.OC1(c2ccc(-c3ccc(C4(O)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C38H26O2.C13H8O.C12H8Br2/c39-37(33-13-5-1-9-29(33)30-10-2-6-14-34(30)37)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38(40)35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-24,39-40H;2*1-8H
InChIKeyBNGCHQKAWUCIJX-UHFFFAOYSA-N
XLogP15.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.83
LogP ≤ 515.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol?
The IUPAC name of 1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol (CID 157401730) is 1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol.
What is the SMILES notation for 1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol?
The canonical SMILES for 1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol is Brc1ccc(-c2ccc(Br)cc2)cc1.O=C1c2ccccc2-c2ccccc21.OC1(c2ccc(-c3ccc(C4(O)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol?
The InChIKey is BNGCHQKAWUCIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26O2.C13H8O.C12H8Br2/c39-37(33-13-5-1-9-29(33)30-10-2-6-14-34(30)37)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38(40)35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-24,39-40H;2*1-8H.
What are the key properties of 1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol?
1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol has a molecular weight of 1006.83 g/mol, XLogP of 15.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromophenyl)benzene;fluoren-9-one;9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol is sourced from PubChem (CID 157401730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).