3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine

C184H124N6O3 — CID 159234703

IUPAC3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4cccc(N(c5ccccc5)c5ccccc5)c4-c4oc5ccccc5c43)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3oc5ccccc5c3C43c4ccccc4-c4c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cccc43)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3c(cccc3N(c3ccccc3)c3ccccc3)-c3oc4ccccc4c32)cc1
InChIInChI=1S/C63H42N2O.C61H40N2O.C60H42N2O/c1-5-18-43(19-6-1)45-32-36-49(37-33-45)64(47-22-9-3-10-23-47)51-40-41-56-54(42-51)62-61(53-27-14-16-31-59(53)66-62)63(56)55-28-15-13-26-52(55)60-57(63)29-17-30-58(60)65(48-24-11-4-12-25-48)50-38-34-46(35-39-50)44-20-7-2-8-21-44;1-4-20-43(21-5-1)62(46-36-34-42(35-37-46)49-29-16-19-41-18-10-11-26-48(41)49)47-38-39-51-50-27-12-14-31-54(50)61(55(51)40-47)58-53(60-59(61)52-28-13-15-33-57(52)64-60)30-17-32-56(58)63(44-22-6-2-7-23-44)45-24-8-3-9-25-45;1-59(2)49-28-15-12-25-44(49)46-35-33-43(38-53(46)59)61(39-19-6-3-7-20-39)42-34-36-51-48(37-42)45-26-13-16-29-50(45)60(51)52-30-18-31-54(56(52)58-57(60)47-27-14-17-32-55(47)63-58)62(40-21-8-4-9-22-40)41-23-10-5-11-24-41/h1-42H;1-40H;3-38H,1-2H3
InChIKeyKTICOGWKJKGIPD-UHFFFAOYSA-N
MW2467.05 g/mol
LogP49.61
Rot. Bonds21

About 3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine

3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine (PubChem CID 159234703) has the molecular formula C184H124N6O3 and a molecular weight of 2467.05 g/mol. Its IUPAC name is 3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine.

Molecular Properties

Compound Name3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine
PubChem CID159234703
Molecular FormulaC184H124N6O3
Molecular Weight2467.05 g/mol
Exact Mass2464.97
IUPAC Name3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4cccc(N(c5ccccc5)c5ccccc5)c4-c4oc5ccccc5c43)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3oc5ccccc5c3C43c4ccccc4-c4c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cccc43)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3c(cccc3N(c3ccccc3)c3ccccc3)-c3oc4ccccc4c32)cc1
InChIInChI=1S/C63H42N2O.C61H40N2O.C60H42N2O/c1-5-18-43(19-6-1)45-32-36-49(37-33-45)64(47-22-9-3-10-23-47)51-40-41-56-54(42-51)62-61(53-27-14-16-31-59(53)66-62)63(56)55-28-15-13-26-52(55)60-57(63)29-17-30-58(60)65(48-24-11-4-12-25-48)50-38-34-46(35-39-50)44-20-7-2-8-21-44;1-4-20-43(21-5-1)62(46-36-34-42(35-37-46)49-29-16-19-41-18-10-11-26-48(41)49)47-38-39-51-50-27-12-14-31-54(50)61(55(51)40-47)58-53(60-59(61)52-28-13-15-33-57(52)64-60)30-17-32-56(58)63(44-22-6-2-7-23-44)45-24-8-3-9-25-45;1-59(2)49-28-15-12-25-44(49)46-35-33-43(38-53(46)59)61(39-19-6-3-7-20-39)42-34-36-51-48(37-42)45-26-13-16-29-50(45)60(51)52-30-18-31-54(56(52)58-57(60)47-27-14-17-32-55(47)63-58)62(40-21-8-4-9-22-40)41-23-10-5-11-24-41/h1-42H;1-40H;3-38H,1-2H3
InChIKeyKTICOGWKJKGIPD-UHFFFAOYSA-N
XLogP49.61
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms193
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002467.05
LogP ≤ 549.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine with MolForge

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Related Compounds

2-N'-naphthalen-2-yl-2-N,2-N-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,2'-diamine;2-N-naphthalen-2-yl-2-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4'-diamine;2-N,2-N,5-N,5-N-tetraphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,5-diamine;2-N',2-N',4-N-triphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2',4-diamine
CID 159110697
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-amine
CID 134551151
8-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-1,8'-diamine;4-N,4-N-diphenyl-9-N'-(3-phenylphenyl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,9'-diamine;methane;3-N-naphthalen-1-yl-3-N,7-N'-diphenyl-7-N'-(2-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,7'-diamine;4-N-naphthalen-1-yl-4-N,8-N'-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,8'-diamine;9-N'-naphthalen-1-yl-9-N'-phenyl-2-N,2-N-bis(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine
CID 160831123
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-4'-phenyl-9,9'-spirobi[fluorene]-1-amine
CID 129258882
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine
CID 134551139
4-N-naphthalen-1-yl-4-N,8-N'-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4,8'-diamine;7-N'-naphthalen-1-yl-2-N,7-N'-diphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,7'-diamine;9-N'-naphthalen-1-yl-9-N'-phenyl-2-N,2-N-bis(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine;3-N-phenyl-3-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,8'-diamine
CID 158264311
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095
6-[3-(N-[7'-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-yl]anilino)phenyl]-3-N-naphthalen-2-yl-3-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3,10'-diamine
CID 134533591
4-N-(9,9-dimethylfluoren-2-yl)-1-N'-(9,9-dimethylfluoren-4-yl)-4-N-phenyl-1-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 135271139
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 159131149
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)fluoren-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)aniline
CID 159259870
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160671954

Frequently Asked Questions

What is the IUPAC name of 3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine?
The IUPAC name of 3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine (CID 159234703) is 3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine.
What is the SMILES notation for 3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine?
The canonical SMILES for 3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4cccc(N(c5ccccc5)c5ccccc5)c4-c4oc5ccccc5c43)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3oc5ccccc5c3C43c4ccccc4-c4c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cccc43)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3c(cccc3N(c3ccccc3)c3ccccc3)-c3oc4ccccc4c32)cc1.
What is the InChIKey of 3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine?
The InChIKey is KTICOGWKJKGIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2O.C61H40N2O.C60H42N2O/c1-5-18-43(19-6-1)45-32-36-49(37-33-45)64(47-22-9-3-10-23-47)51-40-41-56-54(42-51)62-61(53-27-14-16-31-59(53)66-62)63(56)55-28-15-13-26-52(55)60-57(63)29-17-30-58(60)65(48-24-11-4-12-25-48)50-38-34-46(35-39-50)44-20-7-2-8-21-44;1-4-20-43(21-5-1)62(46-36-34-42(35-37-46)49-29-16-19-41-18-10-11-26-48(41)49)47-38-39-51-50-27-12-14-31-54(50)61(55(51)40-47)58-53(60-59(61)52-28-13-15-33-57(52)64-60)30-17-32-56(58)63(44-22-6-2-7-23-44)45-24-8-3-9-25-45;1-59(2)49-28-15-12-25-44(49)46-35-33-43(38-53(46)59)61(39-19-6-3-7-20-39)42-34-36-51-48(37-42)45-26-13-16-29-50(45)60(51)52-30-18-31-54(56(52)58-57(60)47-27-14-17-32-55(47)63-58)62(40-21-8-4-9-22-40)41-23-10-5-11-24-41/h1-42H;1-40H;3-38H,1-2H3.
What are the key properties of 3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine?
3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine has a molecular weight of 2467.05 g/mol, XLogP of 49.61, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine is sourced from PubChem (CID 159234703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).