5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine

C68H47BrN2 — CID 88867924

IUPAC5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESBrc1cc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1
InChIInChI=1S/C68H47BrN2/c69-52-43-57(70(53-31-15-5-16-32-53)55-39-41-61-59-35-19-21-37-63(59)67(65(61)46-55,48-23-7-1-8-24-48)49-25-9-2-10-26-49)45-58(44-52)71(54-33-17-6-18-34-54)56-40-42-62-60-36-20-22-38-64(60)68(66(62)47-56,50-27-11-3-12-28-50)51-29-13-4-14-30-51/h1-47H
InChIKeyNXFJBZAVCLQNGA-UHFFFAOYSA-N
MW972.04 g/mol
LogP18.11
Rot. Bonds10

About 5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine

5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 88867924) has the molecular formula C68H47BrN2 and a molecular weight of 972.04 g/mol. Its IUPAC name is 5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID88867924
Molecular FormulaC68H47BrN2
Molecular Weight972.04 g/mol
Exact Mass970.29
IUPAC Name5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESBrc1cc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1
InChIInChI=1S/C68H47BrN2/c69-52-43-57(70(53-31-15-5-16-32-53)55-39-41-61-59-35-19-21-37-63(59)67(65(61)46-55,48-23-7-1-8-24-48)49-25-9-2-10-26-49)45-58(44-52)71(54-33-17-6-18-34-54)56-40-42-62-60-36-20-22-38-64(60)68(66(62)47-56,50-27-11-3-12-28-50)51-29-13-4-14-30-51/h1-47H
InChIKeyNXFJBZAVCLQNGA-UHFFFAOYSA-N
XLogP18.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.04
LogP ≤ 518.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[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
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
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-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
[4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]boronic acid
CID 123393437
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine (CID 88867924) is 5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine is Brc1cc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1.
What is the InChIKey of 5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is NXFJBZAVCLQNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47BrN2/c69-52-43-57(70(53-31-15-5-16-32-53)55-39-41-61-59-35-19-21-37-63(59)67(65(61)46-55,48-23-7-1-8-24-48)49-25-9-2-10-26-49)45-58(44-52)71(54-33-17-6-18-34-54)56-40-42-62-60-36-20-22-38-64(60)68(66(62)47-56,50-27-11-3-12-28-50)51-29-13-4-14-30-51/h1-47H.
What are the key properties of 5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 972.04 g/mol, XLogP of 18.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 88867924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).