1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine

C73H50Br2N2 — CID 169282162

IUPAC1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine
SMILESBrc1cccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cc(N(c3cccc(Br)c3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C73H50Br2N2/c74-61-32-20-34-63(48-61)76(65-42-55(51-22-6-1-7-23-51)40-56(43-65)52-24-8-2-9-25-52)67-46-60(73(59-30-14-5-15-31-59)71-38-18-16-36-69(71)70-37-17-19-39-72(70)73)47-68(50-67)77(64-35-21-33-62(75)49-64)66-44-57(53-26-10-3-11-27-53)41-58(45-66)54-28-12-4-13-29-54/h1-50H
InChIKeyZQWGPYOVKUWUOG-UHFFFAOYSA-N
MW1115.02 g/mol
LogP21.18
Rot. Bonds12

About 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine

1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine (PubChem CID 169282162) has the molecular formula C73H50Br2N2 and a molecular weight of 1115.02 g/mol. Its IUPAC name is 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine
PubChem CID169282162
Molecular FormulaC73H50Br2N2
Molecular Weight1115.02 g/mol
Exact Mass1112.23
IUPAC Name1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine
SMILESBrc1cccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cc(N(c3cccc(Br)c3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C73H50Br2N2/c74-61-32-20-34-63(48-61)76(65-42-55(51-22-6-1-7-23-51)40-56(43-65)52-24-8-2-9-25-52)67-46-60(73(59-30-14-5-15-31-59)71-38-18-16-36-69(71)70-37-17-19-39-72(70)73)47-68(50-67)77(64-35-21-33-62(75)49-64)66-44-57(53-26-10-3-11-27-53)41-58(45-66)54-28-12-4-13-29-54/h1-50H
InChIKeyZQWGPYOVKUWUOG-UHFFFAOYSA-N
XLogP21.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001115.02
LogP ≤ 521.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-(9-phenylfluoren-9-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;N-[3-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159530937
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
1-N,3-N-diphenyl-5-(9-phenylfluoren-9-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 130266146
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298464
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596
5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 88867924
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
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

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine (CID 169282162) is 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine is Brc1cccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cc(N(c3cccc(Br)c3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c1.
What is the InChIKey of 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine?
The InChIKey is ZQWGPYOVKUWUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50Br2N2/c74-61-32-20-34-63(48-61)76(65-42-55(51-22-6-1-7-23-51)40-56(43-65)52-24-8-2-9-25-52)67-46-60(73(59-30-14-5-15-31-59)71-38-18-16-36-69(71)70-37-17-19-39-72(70)73)47-68(50-67)77(64-35-21-33-62(75)49-64)66-44-57(53-26-10-3-11-27-53)41-58(45-66)54-28-12-4-13-29-54/h1-50H.
What are the key properties of 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine?
1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine has a molecular weight of 1115.02 g/mol, XLogP of 21.18, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(3,5-diphenylphenyl)-5-(9-phenylfluoren-9-yl)benzene-1,3-diamine is sourced from PubChem (CID 169282162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).