3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C271H248N26O8S — CID 157371593

IUPAC3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC=O.CCCCC(CC)COc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(OCC(CC)CCCC)cc4)ccc2n3C)cc1.CCCCOc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2n3C)cc1.CCOc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2n3C)cc1.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.COc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(CO)cc4)ccc2n3C)cc1.Cn1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.Cn1c2ccncc2c2cnccc21.Cn1c2cnccc2c2ccncc21.Cn1c2ncccc2c2cccnc21
InChIInChI=1S/C53H61N3O2.C42H39N3O.C40H35N3O.C39H33N3O2.C37H29N3.C13H11NO.C13H11NS.3C11H9N3.CH2O/c1-6-10-18-40(8-3)38-57-48-30-24-44(25-31-48)55(42-20-14-12-15-21-42)46-28-34-52-50(36-46)51-37-47(29-35-53(51)54(52)5)56(43-22-16-13-17-23-43)45-26-32-49(33-27-45)58-39-41(9-4)19-11-7-2;1-4-5-28-46-38-24-20-35(21-25-38)45(33-14-10-7-11-15-33)37-23-27-42-40(30-37)39-29-36(22-26-41(39)43(42)3)44(32-12-8-6-9-13-32)34-18-16-31(2)17-19-34;1-4-44-36-23-19-33(20-24-36)43(31-13-9-6-10-14-31)35-22-26-40-38(28-35)37-27-34(21-25-39(37)41(40)3)42(30-11-7-5-8-12-30)32-17-15-29(2)16-18-32;1-40-38-23-19-33(41(29-9-5-3-6-10-29)31-15-13-28(27-43)14-16-31)25-36(38)37-26-34(20-24-39(37)40)42(30-11-7-4-8-12-30)32-17-21-35(44-2)22-18-32;1-38-36-24-22-32(39(28-14-6-2-7-15-28)29-16-8-3-9-17-29)26-34(36)35-27-33(23-25-37(35)38)40(30-18-10-4-11-19-30)31-20-12-5-13-21-31;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-14-10-2-4-12-6-8(10)9-7-13-5-3-11(9)14;1-14-10-6-12-4-2-8(10)9-3-5-13-7-11(9)14;1-14-10-8(4-2-6-12-10)9-5-3-7-13-11(9)14;1-2/h12-17,20-37,40-41H,6-11,18-19,38-39H2,1-5H3;6-27,29-30H,4-5,28H2,1-3H3;5-28H,4H2,1-3H3;3-26,43H,27H2,1-2H3;2-27H,1H3;2*2-9H,1H3;3*2-7H,1H3;1H2
InChIKeyBJVDHMCGUUZOMF-UHFFFAOYSA-N
MW4029.21 g/mol
LogP71.90
Rot. Bonds52

About 3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 157371593) has the molecular formula C271H248N26O8S and a molecular weight of 4029.21 g/mol. Its IUPAC name is 3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID157371593
Molecular FormulaC271H248N26O8S
Molecular Weight4029.21 g/mol
Exact Mass4025.95
IUPAC Name3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC=O.CCCCC(CC)COc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(OCC(CC)CCCC)cc4)ccc2n3C)cc1.CCCCOc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2n3C)cc1.CCOc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2n3C)cc1.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.COc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(CO)cc4)ccc2n3C)cc1.Cn1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.Cn1c2ccncc2c2cnccc21.Cn1c2cnccc2c2ccncc21.Cn1c2ncccc2c2cccnc21
InChIInChI=1S/C53H61N3O2.C42H39N3O.C40H35N3O.C39H33N3O2.C37H29N3.C13H11NO.C13H11NS.3C11H9N3.CH2O/c1-6-10-18-40(8-3)38-57-48-30-24-44(25-31-48)55(42-20-14-12-15-21-42)46-28-34-52-50(36-46)51-37-47(29-35-53(51)54(52)5)56(43-22-16-13-17-23-43)45-26-32-49(33-27-45)58-39-41(9-4)19-11-7-2;1-4-5-28-46-38-24-20-35(21-25-38)45(33-14-10-7-11-15-33)37-23-27-42-40(30-37)39-29-36(22-26-41(39)43(42)3)44(32-12-8-6-9-13-32)34-18-16-31(2)17-19-34;1-4-44-36-23-19-33(20-24-36)43(31-13-9-6-10-14-31)35-22-26-40-38(28-35)37-27-34(21-25-39(37)41(40)3)42(30-11-7-5-8-12-30)32-17-15-29(2)16-18-32;1-40-38-23-19-33(41(29-9-5-3-6-10-29)31-15-13-28(27-43)14-16-31)25-36(38)37-26-34(20-24-39(37)40)42(30-11-7-4-8-12-30)32-17-21-35(44-2)22-18-32;1-38-36-24-22-32(39(28-14-6-2-7-15-28)29-16-8-3-9-17-29)26-34(36)35-27-33(23-25-37(35)38)40(30-18-10-4-11-19-30)31-20-12-5-13-21-31;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-14-10-2-4-12-6-8(10)9-7-13-5-3-11(9)14;1-14-10-6-12-4-2-8(10)9-3-5-13-7-11(9)14;1-14-10-8(4-2-6-12-10)9-5-3-7-13-11(9)14;1-2/h12-17,20-37,40-41H,6-11,18-19,38-39H2,1-5H3;6-27,29-30H,4-5,28H2,1-3H3;5-28H,4H2,1-3H3;3-26,43H,27H2,1-2H3;2-27H,1H3;2*2-9H,1H3;3*2-7H,1H3;1H2
InChIKeyBJVDHMCGUUZOMF-UHFFFAOYSA-N
XLogP71.90
TPSA248.34 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds52
Heavy Atoms306
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004029.21
LogP ≤ 571.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 157371593) is 3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is C=O.CCCCC(CC)COc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(OCC(CC)CCCC)cc4)ccc2n3C)cc1.CCCCOc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2n3C)cc1.CCOc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2n3C)cc1.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.COc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(CO)cc4)ccc2n3C)cc1.Cn1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.Cn1c2ccncc2c2cnccc21.Cn1c2cnccc2c2ccncc21.Cn1c2ncccc2c2cccnc21.
What is the InChIKey of 3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is BJVDHMCGUUZOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H61N3O2.C42H39N3O.C40H35N3O.C39H33N3O2.C37H29N3.C13H11NO.C13H11NS.3C11H9N3.CH2O/c1-6-10-18-40(8-3)38-57-48-30-24-44(25-31-48)55(42-20-14-12-15-21-42)46-28-34-52-50(36-46)51-37-47(29-35-53(51)54(52)5)56(43-22-16-13-17-23-43)45-26-32-49(33-27-45)58-39-41(9-4)19-11-7-2;1-4-5-28-46-38-24-20-35(21-25-38)45(33-14-10-7-11-15-33)37-23-27-42-40(30-37)39-29-36(22-26-41(39)43(42)3)44(32-12-8-6-9-13-32)34-18-16-31(2)17-19-34;1-4-44-36-23-19-33(20-24-36)43(31-13-9-6-10-14-31)35-22-26-40-38(28-35)37-27-34(21-25-39(37)41(40)3)42(30-11-7-5-8-12-30)32-17-15-29(2)16-18-32;1-40-38-23-19-33(41(29-9-5-3-6-10-29)31-15-13-28(27-43)14-16-31)25-36(38)37-26-34(20-24-39(37)40)42(30-11-7-4-8-12-30)32-17-21-35(44-2)22-18-32;1-38-36-24-22-32(39(28-14-6-2-7-15-28)29-16-8-3-9-17-29)26-34(36)35-27-33(23-25-37(35)38)40(30-18-10-4-11-19-30)31-20-12-5-13-21-31;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-14-10-2-4-12-6-8(10)9-7-13-5-3-11(9)14;1-14-10-6-12-4-2-8(10)9-3-5-13-7-11(9)14;1-14-10-8(4-2-6-12-10)9-5-3-7-13-11(9)14;1-2/h12-17,20-37,40-41H,6-11,18-19,38-39H2,1-5H3;6-27,29-30H,4-5,28H2,1-3H3;5-28H,4H2,1-3H3;3-26,43H,27H2,1-2H3;2-27H,1H3;2*2-9H,1H3;3*2-7H,1H3;1H2.
What are the key properties of 3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 4029.21 g/mol, XLogP of 71.90, 52 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 157371593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).