4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene

C99H70Br6IN5O — CID 159922622

IUPAC4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene
SMILESBrc1ccc2c(c1)C(c1ccc(N(c3ccccc3)c3ccccc3)cc1)(c1ccc(N(c3ccccc3)c3ccccc3)cc1)c1cc(Br)ccc1-2.Ic1ccccc1.Nc1ccc(C2(c3ccc(N)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.Nc1ccccc1.O=C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C49H34Br2N2.C25H18Br2N2.C13H6Br2O.C6H5I.C6H7N/c50-37-25-31-45-46-32-26-38(51)34-48(46)49(47(45)33-37,35-21-27-43(28-22-35)52(39-13-5-1-6-14-39)40-15-7-2-8-16-40)36-23-29-44(30-24-36)53(41-17-9-3-10-18-41)42-19-11-4-12-20-42;26-17-5-11-21-22-12-6-18(27)14-24(22)25(23(21)13-17,15-1-7-19(28)8-2-15)16-3-9-20(29)10-4-16;14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7;2*7-6-4-2-1-3-5-6/h1-34H;1-14H,28-29H2;1-6H;1-5H;1-5H,7H2
InChIKeyNYPHHOLUUCFNCA-UHFFFAOYSA-N
MW1952.01 g/mol
LogP29.24
Rot. Bonds10

About 4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene

4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene (PubChem CID 159922622) has the molecular formula C99H70Br6IN5O and a molecular weight of 1952.01 g/mol. Its IUPAC name is 4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene.

Molecular Properties

Compound Name4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene
PubChem CID159922622
Molecular FormulaC99H70Br6IN5O
Molecular Weight1952.01 g/mol
Exact Mass1944.97
IUPAC Name4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene
SMILESBrc1ccc2c(c1)C(c1ccc(N(c3ccccc3)c3ccccc3)cc1)(c1ccc(N(c3ccccc3)c3ccccc3)cc1)c1cc(Br)ccc1-2.Ic1ccccc1.Nc1ccc(C2(c3ccc(N)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.Nc1ccccc1.O=C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C49H34Br2N2.C25H18Br2N2.C13H6Br2O.C6H5I.C6H7N/c50-37-25-31-45-46-32-26-38(51)34-48(46)49(47(45)33-37,35-21-27-43(28-22-35)52(39-13-5-1-6-14-39)40-15-7-2-8-16-40)36-23-29-44(30-24-36)53(41-17-9-3-10-18-41)42-19-11-4-12-20-42;26-17-5-11-21-22-12-6-18(27)14-24(22)25(23(21)13-17,15-1-7-19(28)8-2-15)16-3-9-20(29)10-4-16;14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7;2*7-6-4-2-1-3-5-6/h1-34H;1-14H,28-29H2;1-6H;1-5H;1-5H,7H2
InChIKeyNYPHHOLUUCFNCA-UHFFFAOYSA-N
XLogP29.24
TPSA101.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001952.01
LogP ≤ 529.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene with MolForge

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Related Compounds

7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
aniline;4-bromo-N-(4-bromophenyl)-N-phenylaniline;1-bromo-4-iodobenzene
CID 160589758
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
4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
CID 18790937
CID 89138959
CID 89138959
5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 88867924
4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline
CID 174176582
iodobenzene;2-methyl-9,9'-spirobi[fluorene]-2'-amine;2-N,2-N,2-N',2-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 157064836
4-bromoaniline;4-bromo-N,N-diphenylaniline;iodobenzene;1,10-phenanthroline
CID 158298198
7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine
CID 144990340
2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol
CID 122388776
2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 162199805

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene?
The IUPAC name of 4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene (CID 159922622) is 4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene.
What is the SMILES notation for 4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene?
The canonical SMILES for 4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene is Brc1ccc2c(c1)C(c1ccc(N(c3ccccc3)c3ccccc3)cc1)(c1ccc(N(c3ccccc3)c3ccccc3)cc1)c1cc(Br)ccc1-2.Ic1ccccc1.Nc1ccc(C2(c3ccc(N)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.Nc1ccccc1.O=C1c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene?
The InChIKey is NYPHHOLUUCFNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34Br2N2.C25H18Br2N2.C13H6Br2O.C6H5I.C6H7N/c50-37-25-31-45-46-32-26-38(51)34-48(46)49(47(45)33-37,35-21-27-43(28-22-35)52(39-13-5-1-6-14-39)40-15-7-2-8-16-40)36-23-29-44(30-24-36)53(41-17-9-3-10-18-41)42-19-11-4-12-20-42;26-17-5-11-21-22-12-6-18(27)14-24(22)25(23(21)13-17,15-1-7-19(28)8-2-15)16-3-9-20(29)10-4-16;14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7;2*7-6-4-2-1-3-5-6/h1-34H;1-14H,28-29H2;1-6H;1-5H;1-5H,7H2.
What are the key properties of 4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene?
4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene has a molecular weight of 1952.01 g/mol, XLogP of 29.24, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene is sourced from PubChem (CID 159922622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).