2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene

C50H35Br2N — CID 158476067

IUPAC2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene
SMILESBrc1ccc(C2c3ccccc3-c3cccc(-c4cccc(-c5cccc6c5C(c5ccc(Br)cc5)c5ccccc5-6)n4)c32)cc1.Cc1ccccc1
InChIInChI=1S/C43H27Br2N.C7H8/c44-28-22-18-26(19-23-28)40-32-10-3-1-8-30(32)34-12-5-14-36(42(34)40)38-16-7-17-39(46-38)37-15-6-13-35-31-9-2-4-11-33(31)41(43(35)37)27-20-24-29(45)25-21-27;1-7-5-3-2-4-6-7/h1-25,40-41H;2-6H,1H3
InChIKeyHGYHIDCLIKBGEB-UHFFFAOYSA-N
MW809.65 g/mol
LogP14.26
Rot. Bonds4

About 2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene

2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene (PubChem CID 158476067) has the molecular formula C50H35Br2N and a molecular weight of 809.65 g/mol. Its IUPAC name is 2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene.

Molecular Properties

Compound Name2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene
PubChem CID158476067
Molecular FormulaC50H35Br2N
Molecular Weight809.65 g/mol
Exact Mass807.11
IUPAC Name2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene
SMILESBrc1ccc(C2c3ccccc3-c3cccc(-c4cccc(-c5cccc6c5C(c5ccc(Br)cc5)c5ccccc5-6)n4)c32)cc1.Cc1ccccc1
InChIInChI=1S/C43H27Br2N.C7H8/c44-28-22-18-26(19-23-28)40-32-10-3-1-8-30(32)34-12-5-14-36(42(34)40)38-16-7-17-39(46-38)37-15-6-13-35-31-9-2-4-11-33(31)41(43(35)37)27-20-24-29(45)25-21-27;1-7-5-3-2-4-6-7/h1-25,40-41H;2-6H,1H3
InChIKeyHGYHIDCLIKBGEB-UHFFFAOYSA-N
XLogP14.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.65
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene?
The IUPAC name of 2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene (CID 158476067) is 2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene.
What is the SMILES notation for 2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene?
The canonical SMILES for 2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene is Brc1ccc(C2c3ccccc3-c3cccc(-c4cccc(-c5cccc6c5C(c5ccc(Br)cc5)c5ccccc5-6)n4)c32)cc1.Cc1ccccc1.
What is the InChIKey of 2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene?
The InChIKey is HGYHIDCLIKBGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27Br2N.C7H8/c44-28-22-18-26(19-23-28)40-32-10-3-1-8-30(32)34-12-5-14-36(42(34)40)38-16-7-17-39(46-38)37-15-6-13-35-31-9-2-4-11-33(31)41(43(35)37)27-20-24-29(45)25-21-27;1-7-5-3-2-4-6-7/h1-25,40-41H;2-6H,1H3.
What are the key properties of 2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene?
2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene has a molecular weight of 809.65 g/mol, XLogP of 14.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene is sourced from PubChem (CID 158476067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).