9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine

C73H51BrN2 — CID 122537274

IUPAC9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine
SMILESBrc1ccccc1C1(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C73H51BrN2/c74-72-31-16-15-30-70(72)73(60-26-17-27-65(50-60)75(61-40-32-56(33-41-61)52-18-5-1-6-19-52)62-42-34-57(35-43-62)53-20-7-2-8-21-53)69-29-14-13-28-67(69)68-49-48-66(51-71(68)73)76(63-44-36-58(37-45-63)54-22-9-3-10-23-54)64-46-38-59(39-47-64)55-24-11-4-12-25-55/h1-51H
InChIKeyWIUJIZICXMZRKO-UHFFFAOYSA-N
MW1036.13 g/mol
LogP20.42
Rot. Bonds12

About 9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine

9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine (PubChem CID 122537274) has the molecular formula C73H51BrN2 and a molecular weight of 1036.13 g/mol. Its IUPAC name is 9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine
PubChem CID122537274
Molecular FormulaC73H51BrN2
Molecular Weight1036.13 g/mol
Exact Mass1034.32
IUPAC Name9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine
SMILESBrc1ccccc1C1(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C73H51BrN2/c74-72-31-16-15-30-70(72)73(60-26-17-27-65(50-60)75(61-40-32-56(33-41-61)52-18-5-1-6-19-52)62-42-34-57(35-43-62)53-20-7-2-8-21-53)69-29-14-13-28-67(69)68-49-48-66(51-71(68)73)76(63-44-36-58(37-45-63)54-22-9-3-10-23-54)64-46-38-59(39-47-64)55-24-11-4-12-25-55/h1-51H
InChIKeyWIUJIZICXMZRKO-UHFFFAOYSA-N
XLogP20.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.13
LogP ≤ 520.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
3-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 118049427
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 122537250
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
N-(3-chlorophenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90154262

Frequently Asked Questions

What is the IUPAC name of 9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine?
The IUPAC name of 9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine (CID 122537274) is 9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine.
What is the SMILES notation for 9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine?
The canonical SMILES for 9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine is Brc1ccccc1C1(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine?
The InChIKey is WIUJIZICXMZRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51BrN2/c74-72-31-16-15-30-70(72)73(60-26-17-27-65(50-60)75(61-40-32-56(33-41-61)52-18-5-1-6-19-52)62-42-34-57(35-43-62)53-20-7-2-8-21-53)69-29-14-13-28-67(69)68-49-48-66(51-71(68)73)76(63-44-36-58(37-45-63)54-22-9-3-10-23-54)64-46-38-59(39-47-64)55-24-11-4-12-25-55/h1-51H.
What are the key properties of 9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine?
9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine has a molecular weight of 1036.13 g/mol, XLogP of 20.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromophenyl)-N,N-bis(4-phenylphenyl)-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-2-amine is sourced from PubChem (CID 122537274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).