3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole

C43H28BrN — CID 53416187

IUPAC3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole
SMILESBrc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1-2
InChIInChI=1S/C43H28BrN/c44-33-22-24-36-35-23-20-30(27-39(35)43(40(36)28-33,31-12-4-1-5-13-31)32-14-6-2-7-15-32)29-21-25-42-38(26-29)37-18-10-11-19-41(37)45(42)34-16-8-3-9-17-34/h1-28H
InChIKeyLMGSKQRCGSBPIK-UHFFFAOYSA-N
MW638.61 g/mol
LogP11.58
Rot. Bonds4

About 3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole

3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole (PubChem CID 53416187) has the molecular formula C43H28BrN and a molecular weight of 638.61 g/mol. Its IUPAC name is 3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole
PubChem CID53416187
Molecular FormulaC43H28BrN
Molecular Weight638.61 g/mol
Exact Mass637.14
IUPAC Name3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole
SMILESBrc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1-2
InChIInChI=1S/C43H28BrN/c44-33-22-24-36-35-23-20-30(27-39(35)43(40(36)28-33,31-12-4-1-5-13-31)32-14-6-2-7-15-32)29-21-25-42-38(26-29)37-18-10-11-19-41(37)45(42)34-16-8-3-9-17-34/h1-28H
InChIKeyLMGSKQRCGSBPIK-UHFFFAOYSA-N
XLogP11.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.61
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole (CID 53416187) is 3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole is Brc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1-2.
What is the InChIKey of 3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole?
The InChIKey is LMGSKQRCGSBPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28BrN/c44-33-22-24-36-35-23-20-30(27-39(35)43(40(36)28-33,31-12-4-1-5-13-31)32-14-6-2-7-15-32)29-21-25-42-38(26-29)37-18-10-11-19-41(37)45(42)34-16-8-3-9-17-34/h1-28H.
What are the key properties of 3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole?
3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole has a molecular weight of 638.61 g/mol, XLogP of 11.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-9,9-diphenylfluoren-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 53416187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).