2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine

C262H206N14O2 — CID 159356180

IUPAC2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc42)c2ccccc2-3)cc1.Cc1cc(N(c2ccccc2)c2cccc3ccccc23)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C.Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccccc3-c3ccccc3-c3cccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)cc1.Cc1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)c1.c1ccc(N(c2ccccc2)c2ccc3cc(N(c4ccccc4)c4ccccc4)ccc3c2)cc1.c1cnc2c(-c3ccc(N(c4ccc(-c5cccc6cccnc56)cc4)c4ccc(-c5cccc6cccnc56)cc4)cc3)cccc2c1
InChIInChI=1S/C53H42N2O2.C52H44N2.C46H36N2.C45H30N4.C34H26N2.C32H28N2/c1-35-13-17-37(18-14-35)54(38-19-15-36(2)16-20-38)41-25-31-47-45-9-5-7-11-49(45)53(51(47)33-41)50-12-8-6-10-46(50)48-32-26-42(34-52(48)53)55(39-21-27-43(56-3)28-22-39)40-23-29-44(57-4)30-24-40;1-37-19-27-43(28-20-37)53(44-29-21-38(2)22-30-44)47-13-9-11-41(35-47)49-15-5-7-17-51(49)52-18-8-6-16-50(52)42-12-10-14-48(36-42)54(45-31-23-39(3)24-32-45)46-33-25-40(4)26-34-46;1-33-31-39(47(37-19-5-3-6-20-37)45-25-13-17-35-15-9-11-23-43(35)45)27-29-41(33)42-30-28-40(32-34(42)2)48(38-21-7-4-8-22-38)46-26-14-18-36-16-10-12-24-44(36)46;1-7-34-10-4-28-46-43(34)40(13-1)31-16-22-37(23-17-31)49(38-24-18-32(19-25-38)41-14-2-8-35-11-5-29-47-44(35)41)39-26-20-33(21-27-39)42-15-3-9-36-12-6-30-48-45(36)42;1-5-13-29(14-6-1)35(30-15-7-2-8-16-30)33-23-21-28-26-34(24-22-27(28)25-33)36(31-17-9-3-10-18-31)32-19-11-4-12-20-32;1-25-11-9-17-31(23-25)33(27-13-5-3-6-14-27)29-19-21-30(22-20-29)34(28-15-7-4-8-16-28)32-18-10-12-26(2)24-32/h5-34H,1-4H3;5-36H,1-4H3;3-32H,1-2H3;1-30H;1-26H;3-24H,1-2H3
InChIKeyLHYHDABLFFULPU-UHFFFAOYSA-N
MW3582.63 g/mol
LogP72.51
Rot. Bonds42

About 2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine

2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine (PubChem CID 159356180) has the molecular formula C262H206N14O2 and a molecular weight of 3582.63 g/mol. Its IUPAC name is 2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine.

Molecular Properties

Compound Name2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine
PubChem CID159356180
Molecular FormulaC262H206N14O2
Molecular Weight3582.63 g/mol
Exact Mass3579.64
IUPAC Name2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc42)c2ccccc2-3)cc1.Cc1cc(N(c2ccccc2)c2cccc3ccccc23)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C.Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccccc3-c3ccccc3-c3cccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)cc1.Cc1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)c1.c1ccc(N(c2ccccc2)c2ccc3cc(N(c4ccccc4)c4ccccc4)ccc3c2)cc1.c1cnc2c(-c3ccc(N(c4ccc(-c5cccc6cccnc56)cc4)c4ccc(-c5cccc6cccnc56)cc4)cc3)cccc2c1
InChIInChI=1S/C53H42N2O2.C52H44N2.C46H36N2.C45H30N4.C34H26N2.C32H28N2/c1-35-13-17-37(18-14-35)54(38-19-15-36(2)16-20-38)41-25-31-47-45-9-5-7-11-49(45)53(51(47)33-41)50-12-8-6-10-46(50)48-32-26-42(34-52(48)53)55(39-21-27-43(56-3)28-22-39)40-23-29-44(57-4)30-24-40;1-37-19-27-43(28-20-37)53(44-29-21-38(2)22-30-44)47-13-9-11-41(35-47)49-15-5-7-17-51(49)52-18-8-6-16-50(52)42-12-10-14-48(36-42)54(45-31-23-39(3)24-32-45)46-33-25-40(4)26-34-46;1-33-31-39(47(37-19-5-3-6-20-37)45-25-13-17-35-15-9-11-23-43(35)45)27-29-41(33)42-30-28-40(32-34(42)2)48(38-21-7-4-8-22-38)46-26-14-18-36-16-10-12-24-44(36)46;1-7-34-10-4-28-46-43(34)40(13-1)31-16-22-37(23-17-31)49(38-24-18-32(19-25-38)41-14-2-8-35-11-5-29-47-44(35)41)39-26-20-33(21-27-39)42-15-3-9-36-12-6-30-48-45(36)42;1-5-13-29(14-6-1)35(30-15-7-2-8-16-30)33-23-21-28-26-34(24-22-27(28)25-33)36(31-17-9-3-10-18-31)32-19-11-4-12-20-32;1-25-11-9-17-31(23-25)33(27-13-5-3-6-14-27)29-19-21-30(22-20-29)34(28-15-7-4-8-16-28)32-18-10-12-26(2)24-32/h5-34H,1-4H3;5-36H,1-4H3;3-32H,1-2H3;1-30H;1-26H;3-24H,1-2H3
InChIKeyLHYHDABLFFULPU-UHFFFAOYSA-N
XLogP72.51
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds42
Heavy Atoms278
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003582.63
LogP ≤ 572.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine?
The IUPAC name of 2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine (CID 159356180) is 2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine.
What is the SMILES notation for 2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine?
The canonical SMILES for 2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc42)c2ccccc2-3)cc1.Cc1cc(N(c2ccccc2)c2cccc3ccccc23)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C.Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccccc3-c3ccccc3-c3cccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)cc1.Cc1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)c1.c1ccc(N(c2ccccc2)c2ccc3cc(N(c4ccccc4)c4ccccc4)ccc3c2)cc1.c1cnc2c(-c3ccc(N(c4ccc(-c5cccc6cccnc56)cc4)c4ccc(-c5cccc6cccnc56)cc4)cc3)cccc2c1.
What is the InChIKey of 2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine?
The InChIKey is LHYHDABLFFULPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N2O2.C52H44N2.C46H36N2.C45H30N4.C34H26N2.C32H28N2/c1-35-13-17-37(18-14-35)54(38-19-15-36(2)16-20-38)41-25-31-47-45-9-5-7-11-49(45)53(51(47)33-41)50-12-8-6-10-46(50)48-32-26-42(34-52(48)53)55(39-21-27-43(56-3)28-22-39)40-23-29-44(57-4)30-24-40;1-37-19-27-43(28-20-37)53(44-29-21-38(2)22-30-44)47-13-9-11-41(35-47)49-15-5-7-17-51(49)52-18-8-6-16-50(52)42-12-10-14-48(36-42)54(45-31-23-39(3)24-32-45)46-33-25-40(4)26-34-46;1-33-31-39(47(37-19-5-3-6-20-37)45-25-13-17-35-15-9-11-23-43(35)45)27-29-41(33)42-30-28-40(32-34(42)2)48(38-21-7-4-8-22-38)46-26-14-18-36-16-10-12-24-44(36)46;1-7-34-10-4-28-46-43(34)40(13-1)31-16-22-37(23-17-31)49(38-24-18-32(19-25-38)41-14-2-8-35-11-5-29-47-44(35)41)39-26-20-33(21-27-39)42-15-3-9-36-12-6-30-48-45(36)42;1-5-13-29(14-6-1)35(30-15-7-2-8-16-30)33-23-21-28-26-34(24-22-27(28)25-33)36(31-17-9-3-10-18-31)32-19-11-4-12-20-32;1-25-11-9-17-31(23-25)33(27-13-5-3-6-14-27)29-19-21-30(22-20-29)34(28-15-7-4-8-16-28)32-18-10-12-26(2)24-32/h5-34H,1-4H3;5-36H,1-4H3;3-32H,1-2H3;1-30H;1-26H;3-24H,1-2H3.
What are the key properties of 2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine?
2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine has a molecular weight of 3582.63 g/mol, XLogP of 72.51, 42 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',2-N'-bis(4-methoxyphenyl)-2-N,2-N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine;1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;3-[2-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline;4-quinolin-8-yl-N,N-bis(4-quinolin-8-ylphenyl)aniline;2-N,2-N,6-N,6-N-tetraphenylnaphthalene-2,6-diamine is sourced from PubChem (CID 159356180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).