4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline

C36H24Br2N2 — CID 170984212

IUPAC4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline
SMILESBrc1ccc2c(c1)C(c1ccc(N(c3ccccc3)c3ccccc3)cc1)(c1ccccn1)c1cc(Br)ccc1-2
InChIInChI=1S/C36H24Br2N2/c37-26-16-20-31-32-21-17-27(38)24-34(32)36(33(31)23-26,35-13-7-8-22-39-35)25-14-18-30(19-15-25)40(28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-24H
InChIKeyXBKXDPRCRWUKSC-UHFFFAOYSA-N
MW644.41 g/mol
LogP10.44
Rot. Bonds5

About 4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline

4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline (PubChem CID 170984212) has the molecular formula C36H24Br2N2 and a molecular weight of 644.41 g/mol. Its IUPAC name is 4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline
PubChem CID170984212
Molecular FormulaC36H24Br2N2
Molecular Weight644.41 g/mol
Exact Mass642.03
IUPAC Name4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline
SMILESBrc1ccc2c(c1)C(c1ccc(N(c3ccccc3)c3ccccc3)cc1)(c1ccccn1)c1cc(Br)ccc1-2
InChIInChI=1S/C36H24Br2N2/c37-26-16-20-31-32-21-17-27(38)24-34(32)36(33(31)23-26,35-13-7-8-22-39-35)25-14-18-30(19-15-25)40(28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-24H
InChIKeyXBKXDPRCRWUKSC-UHFFFAOYSA-N
XLogP10.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.41
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9H-Indeno(2,1-b)pyridine, 9-((4-bromophenyl)methylene)-
CID 6448037
2',7'-Dibromospiro(cyclopenta(2,1-b:3,4-b')dipyridine-5,9'-fluorene)
CID 19083250
4-[[2,7-Dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
CID 90930230
3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine
CID 123674700
3-(7-Fluoro-9,9-dimethyl-2-methylbromanuidylfluoren-4-yl)pyridine
CID 164047200
4-[3-(3-Bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine
CID 165158355
4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline
CID 57342783
2-(7-Bromo-9,9-dihexylfluoren-2-yl)pyridine
CID 86070328
2-[4-Bromo-2-(5-bromo-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 122387099
2-[2,6-Bis(3-bromophenyl)phenyl]pyridine
CID 135012000
2-(7-Bromo-9,9-dibutylfluoren-2-yl)pyridine
CID 139249283
2,2'-(4,4'-Dibromo-[1,1'-biphenyl]-2,2'-diyl)bis(3-methylpyridine)
CID 155908936

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline (CID 170984212) is 4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline is Brc1ccc2c(c1)C(c1ccc(N(c3ccccc3)c3ccccc3)cc1)(c1ccccn1)c1cc(Br)ccc1-2.
What is the InChIKey of 4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline?
The InChIKey is XBKXDPRCRWUKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24Br2N2/c37-26-16-20-31-32-21-17-27(38)24-34(32)36(33(31)23-26,35-13-7-8-22-39-35)25-14-18-30(19-15-25)40(28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-24H.
What are the key properties of 4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline?
4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline has a molecular weight of 644.41 g/mol, XLogP of 10.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dibromo-9-pyridin-2-ylfluoren-9-yl)-N,N-diphenylaniline is sourced from PubChem (CID 170984212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).