7-bromo-N,N,9,9-tetraphenylfluoren-2-amine

C37H26BrN — CID 118632342

IUPAC7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
SMILESBrc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C37H26BrN/c38-29-21-23-33-34-24-22-32(39(30-17-9-3-10-18-30)31-19-11-4-12-20-31)26-36(34)37(35(33)25-29,27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-26H
InChIKeySNXQCKRBKBRRQY-UHFFFAOYSA-N
MW564.53 g/mol
LogP10.28
Rot. Bonds5

About 7-bromo-N,N,9,9-tetraphenylfluoren-2-amine

7-bromo-N,N,9,9-tetraphenylfluoren-2-amine (PubChem CID 118632342) has the molecular formula C37H26BrN and a molecular weight of 564.53 g/mol. Its IUPAC name is 7-bromo-N,N,9,9-tetraphenylfluoren-2-amine.

Molecular Properties

Compound Name7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
PubChem CID118632342
Molecular FormulaC37H26BrN
Molecular Weight564.53 g/mol
Exact Mass563.12
IUPAC Name7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
SMILESBrc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C37H26BrN/c38-29-21-23-33-34-24-22-32(39(30-17-9-3-10-18-30)31-19-11-4-12-20-31)26-36(34)37(35(33)25-29,27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-26H
InChIKeySNXQCKRBKBRRQY-UHFFFAOYSA-N
XLogP10.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.53
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 88867924
7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine
CID 144990340
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
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,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine
CID 170091409
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
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-[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-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369
CID 89138959
CID 89138959
N-[4-(3-bromophenyl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(3-bromophenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;5-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 159189943

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,N,9,9-tetraphenylfluoren-2-amine?
The IUPAC name of 7-bromo-N,N,9,9-tetraphenylfluoren-2-amine (CID 118632342) is 7-bromo-N,N,9,9-tetraphenylfluoren-2-amine.
What is the SMILES notation for 7-bromo-N,N,9,9-tetraphenylfluoren-2-amine?
The canonical SMILES for 7-bromo-N,N,9,9-tetraphenylfluoren-2-amine is Brc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.
What is the InChIKey of 7-bromo-N,N,9,9-tetraphenylfluoren-2-amine?
The InChIKey is SNXQCKRBKBRRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26BrN/c38-29-21-23-33-34-24-22-32(39(30-17-9-3-10-18-30)31-19-11-4-12-20-31)26-36(34)37(35(33)25-29,27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-26H.
What are the key properties of 7-bromo-N,N,9,9-tetraphenylfluoren-2-amine?
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine has a molecular weight of 564.53 g/mol, XLogP of 10.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N,N,9,9-tetraphenylfluoren-2-amine is sourced from PubChem (CID 118632342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).