7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine

C36H26BrN — CID 144990340

IUPAC7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine
SMILESBrc1ccc2c(c1)C(C1=CC=CC1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C36H26BrN/c37-28-20-22-32-33-23-21-31(38(29-16-6-2-7-17-29)30-18-8-3-9-19-30)25-35(33)36(34(32)24-28,27-14-10-11-15-27)26-12-4-1-5-13-26/h1-14,16-25H,15H2
InChIKeyUNQSKOOMMMTDKQ-UHFFFAOYSA-N
MW552.52 g/mol
LogP10.12
Rot. Bonds5

About 7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine

7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine (PubChem CID 144990340) has the molecular formula C36H26BrN and a molecular weight of 552.52 g/mol. Its IUPAC name is 7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine.

Molecular Properties

Compound Name7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine
PubChem CID144990340
Molecular FormulaC36H26BrN
Molecular Weight552.52 g/mol
Exact Mass551.12
IUPAC Name7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine
SMILESBrc1ccc2c(c1)C(C1=CC=CC1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C36H26BrN/c37-28-20-22-32-33-23-21-31(38(29-16-6-2-7-17-29)30-18-8-3-9-19-30)25-35(33)36(34(32)24-28,27-14-10-11-15-27)26-12-4-1-5-13-26/h1-14,16-25H,15H2
InChIKeyUNQSKOOMMMTDKQ-UHFFFAOYSA-N
XLogP10.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.52
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 88867924
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine
CID 153445557
6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine
CID 170091409
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59398831
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033580
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369

Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine?
The IUPAC name of 7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine (CID 144990340) is 7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine.
What is the SMILES notation for 7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine?
The canonical SMILES for 7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine is Brc1ccc2c(c1)C(C1=CC=CC1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.
What is the InChIKey of 7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine?
The InChIKey is UNQSKOOMMMTDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26BrN/c37-28-20-22-32-33-23-21-31(38(29-16-6-2-7-17-29)30-18-8-3-9-19-30)25-35(33)36(34(32)24-28,27-14-10-11-15-27)26-12-4-1-5-13-26/h1-14,16-25H,15H2.
What are the key properties of 7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine?
7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine has a molecular weight of 552.52 g/mol, XLogP of 10.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine is sourced from PubChem (CID 144990340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).