N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C61H42BrN — CID 122537250

IUPACN-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESBrc1ccccc1C1(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C61H42BrN/c62-60-24-14-13-23-57(60)61(58-41-49(45-19-9-3-10-20-45)29-39-55(58)56-40-30-50(42-59(56)61)46-21-11-4-12-22-46)51-31-37-54(38-32-51)63(52-33-25-47(26-34-52)43-15-5-1-6-16-43)53-35-27-48(28-36-53)44-17-7-2-8-18-44/h1-42H
InChIKeyKAWPFMDVSJTAGY-UHFFFAOYSA-N
MW868.92 g/mol
LogP16.95
Rot. Bonds9

About N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 122537250) has the molecular formula C61H42BrN and a molecular weight of 868.92 g/mol. Its IUPAC name is N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID122537250
Molecular FormulaC61H42BrN
Molecular Weight868.92 g/mol
Exact Mass867.25
IUPAC NameN-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESBrc1ccccc1C1(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C61H42BrN/c62-60-24-14-13-23-57(60)61(58-41-49(45-19-9-3-10-20-45)29-39-55(58)56-40-30-50(42-59(56)61)46-21-11-4-12-22-46)51-31-37-54(38-32-51)63(52-33-25-47(26-34-52)43-15-5-1-6-16-43)53-35-27-48(28-36-53)44-17-7-2-8-18-44/h1-42H
InChIKeyKAWPFMDVSJTAGY-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.92
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(2-bromophenyl)-N-[9-(2-bromophenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122537273
9-(2-bromophenyl)-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 118049371
9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine
CID 122537274
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
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
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline
CID 130251893
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 122537250) is N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is Brc1ccccc1C1(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is KAWPFMDVSJTAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42BrN/c62-60-24-14-13-23-57(60)61(58-41-49(45-19-9-3-10-20-45)29-39-55(58)56-40-30-50(42-59(56)61)46-21-11-4-12-22-46)51-31-37-54(38-32-51)63(52-33-25-47(26-34-52)43-15-5-1-6-16-43)53-35-27-48(28-36-53)44-17-7-2-8-18-44/h1-42H.
What are the key properties of N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 868.92 g/mol, XLogP of 16.95, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 122537250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).