4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine

C172H132N8 — CID 158384191

IUPAC4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
SMILESCN(c1ccccc1)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CN(c1ccccc1)c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.CN(c1ccccc1)c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.CN(c1ccccc1)c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C63H42N2.C43H38N2.2C33H26N2/c1-64(41-17-3-2-4-18-41)42-31-33-43(34-32-42)65(44-35-37-52-50-23-9-15-29-58(50)62(60(52)39-44)54-25-11-5-19-46(54)47-20-6-12-26-55(47)62)45-36-38-53-51-24-10-16-30-59(51)63(61(53)40-45)56-27-13-7-21-48(56)49-22-8-14-28-57(49)63;1-42(2)38-17-11-9-15-34(38)36-25-23-32(27-40(36)42)45(31-21-19-30(20-22-31)44(5)29-13-7-6-8-14-29)33-24-26-37-35-16-10-12-18-39(35)43(3,4)41(37)28-33;1-34(27-15-3-2-4-16-27)28-21-23-29(24-22-28)35(32-19-9-13-25-11-5-7-17-30(25)32)33-20-10-14-26-12-6-8-18-31(26)33;1-34(29-13-3-2-4-14-29)30-19-21-31(22-20-30)35(32-17-15-25-9-5-7-11-27(25)23-32)33-18-16-26-10-6-8-12-28(26)24-33/h2-40H,1H3;6-28H,1-5H3;2*2-24H,1H3
InChIKeyGWEBLRJYICMCFJ-UHFFFAOYSA-N
MW2311.00 g/mol
LogP45.61
Rot. Bonds20

About 4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine

4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine (PubChem CID 158384191) has the molecular formula C172H132N8 and a molecular weight of 2311.00 g/mol. Its IUPAC name is 4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
PubChem CID158384191
Molecular FormulaC172H132N8
Molecular Weight2311.00 g/mol
Exact Mass2309.06
IUPAC Name4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
SMILESCN(c1ccccc1)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CN(c1ccccc1)c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.CN(c1ccccc1)c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.CN(c1ccccc1)c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C63H42N2.C43H38N2.2C33H26N2/c1-64(41-17-3-2-4-18-41)42-31-33-43(34-32-42)65(44-35-37-52-50-23-9-15-29-58(50)62(60(52)39-44)54-25-11-5-19-46(54)47-20-6-12-26-55(47)62)45-36-38-53-51-24-10-16-30-59(51)63(61(53)40-45)56-27-13-7-21-48(56)49-22-8-14-28-57(49)63;1-42(2)38-17-11-9-15-34(38)36-25-23-32(27-40(36)42)45(31-21-19-30(20-22-31)44(5)29-13-7-6-8-14-29)33-24-26-37-35-16-10-12-18-39(35)43(3,4)41(37)28-33;1-34(27-15-3-2-4-16-27)28-21-23-29(24-22-28)35(32-19-9-13-25-11-5-7-17-30(25)32)33-20-10-14-26-12-6-8-18-31(26)33;1-34(29-13-3-2-4-14-29)30-19-21-31(22-20-30)35(32-17-15-25-9-5-7-11-27(25)23-32)33-18-16-26-10-6-8-12-28(26)24-33/h2-40H,1H3;6-28H,1-5H3;2*2-24H,1H3
InChIKeyGWEBLRJYICMCFJ-UHFFFAOYSA-N
XLogP45.61
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002311.00
LogP ≤ 545.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221626
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221488
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 158564793
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157391527
4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine
CID 159957183
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 159065491

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine (CID 158384191) is 4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine is CN(c1ccccc1)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CN(c1ccccc1)c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.CN(c1ccccc1)c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.CN(c1ccccc1)c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of 4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine?
The InChIKey is GWEBLRJYICMCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2.C43H38N2.2C33H26N2/c1-64(41-17-3-2-4-18-41)42-31-33-43(34-32-42)65(44-35-37-52-50-23-9-15-29-58(50)62(60(52)39-44)54-25-11-5-19-46(54)47-20-6-12-26-55(47)62)45-36-38-53-51-24-10-16-30-59(51)63(61(53)40-45)56-27-13-7-21-48(56)49-22-8-14-28-57(49)63;1-42(2)38-17-11-9-15-34(38)36-25-23-32(27-40(36)42)45(31-21-19-30(20-22-31)44(5)29-13-7-6-8-14-29)33-24-26-37-35-16-10-12-18-39(35)43(3,4)41(37)28-33;1-34(27-15-3-2-4-16-27)28-21-23-29(24-22-28)35(32-19-9-13-25-11-5-7-17-30(25)32)33-20-10-14-26-12-6-8-18-31(26)33;1-34(29-13-3-2-4-14-29)30-19-21-31(22-20-30)35(32-17-15-25-9-5-7-11-27(25)23-32)33-18-16-26-10-6-8-12-28(26)24-33/h2-40H,1H3;6-28H,1-5H3;2*2-24H,1H3.
What are the key properties of 4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine?
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine has a molecular weight of 2311.00 g/mol, XLogP of 45.61, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 158384191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).