2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline

C111H76BrN — CID 161198926

IUPAC2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
SMILESBrc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.c1ccc(-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C55H37N.C31H19Br.C25H20/c1-3-13-38(14-4-1)40-23-30-44(31-24-40)56(45-32-25-41(26-33-45)39-15-5-2-6-16-39)46-34-27-42(28-35-46)43-29-36-50-49-19-9-12-22-53(49)55(54(50)37-43)51-20-10-7-17-47(51)48-18-8-11-21-52(48)55;32-22-16-13-20(14-17-22)21-15-18-26-25-9-3-6-12-29(25)31(30(26)19-21)27-10-4-1-7-23(27)24-8-2-5-11-28(24)31;1-3-7-22(8-4-1)24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)23-9-5-2-6-10-23/h1-37H;1-19H;1-18H,19H2
InChIKeyUUSINRVCKMXWLZ-UHFFFAOYSA-N
MW1503.74 g/mol
LogP29.57
Rot. Bonds11

About 2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline

2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline (PubChem CID 161198926) has the molecular formula C111H76BrN and a molecular weight of 1503.74 g/mol. Its IUPAC name is 2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
PubChem CID161198926
Molecular FormulaC111H76BrN
Molecular Weight1503.74 g/mol
Exact Mass1501.52
IUPAC Name2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
SMILESBrc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.c1ccc(-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C55H37N.C31H19Br.C25H20/c1-3-13-38(14-4-1)40-23-30-44(31-24-40)56(45-32-25-41(26-33-45)39-15-5-2-6-16-39)46-34-27-42(28-35-46)43-29-36-50-49-19-9-12-22-53(49)55(54(50)37-43)51-20-10-7-17-47(51)48-18-8-11-21-52(48)55;32-22-16-13-20(14-17-22)21-15-18-26-25-9-3-6-12-29(25)31(30(26)19-21)27-10-4-1-7-23(27)24-8-2-5-11-28(24)31;1-3-7-22(8-4-1)24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)23-9-5-2-6-10-23/h1-37H;1-19H;1-18H,19H2
InChIKeyUUSINRVCKMXWLZ-UHFFFAOYSA-N
XLogP29.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001503.74
LogP ≤ 529.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline with MolForge

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Related Compounds

3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene
CID 161338390
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 126702741
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
4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline
CID 130260406
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
1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline
CID 159014382
N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121383399
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
The IUPAC name of 2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline (CID 161198926) is 2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline.
What is the SMILES notation for 2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
The canonical SMILES for 2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline is Brc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.c1ccc(-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
The InChIKey is UUSINRVCKMXWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N.C31H19Br.C25H20/c1-3-13-38(14-4-1)40-23-30-44(31-24-40)56(45-32-25-41(26-33-45)39-15-5-2-6-16-39)46-34-27-42(28-35-46)43-29-36-50-49-19-9-12-22-53(49)55(54(50)37-43)51-20-10-7-17-47(51)48-18-8-11-21-52(48)55;32-22-16-13-20(14-17-22)21-15-18-26-25-9-3-6-12-29(25)31(30(26)19-21)27-10-4-1-7-23(27)24-8-2-5-11-28(24)31;1-3-7-22(8-4-1)24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)23-9-5-2-6-10-23/h1-37H;1-19H;1-18H,19H2.
What are the key properties of 2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline has a molecular weight of 1503.74 g/mol, XLogP of 29.57, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline is sourced from PubChem (CID 161198926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).