bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene

C220H233N7O — CID 158161687

IUPACbis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene
SMILESCCCCOc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)cc1.CCCCc1cc(C)c(N(c2ccc(C)cc2)c2ccc3c(c2)C24CCCC2(CCC4)c2cc(N(c4ccc(C)cc4)c4c(C)cc(CCCC)cc4C)ccc2-3)c(C)c1.CCCCc1cc(C)c(N(c2ccc(C)cc2)c2ccc3c(c2)C24CCCC2(CCC4)c2cc(N(c4ccc(C)cc4)c4c(C)cc(CCCC)cc4C)ccc2-3)c(C)c1.Cc1cc(C)cc(C2(c3cc(C)cc(C)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2
InChIInChI=1S/2C58H66N2.C31H30.C29H26.C27H27N3O.C17H18/c2*1-9-11-15-45-33-41(5)55(42(6)34-45)59(47-21-17-39(3)18-22-47)49-25-27-51-52-28-26-50(38-54(52)58-31-13-29-57(58,30-14-32-58)53(51)37-49)60(48-23-19-40(4)20-24-48)56-43(7)35-46(16-12-10-2)36-44(56)8;1-19-7-9-27-28-10-8-20(2)18-30(28)31(29(27)17-19,25-13-21(3)11-22(4)14-25)26-15-23(5)12-24(6)16-26;1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-4-5-18-31-24-16-14-23(15-17-24)27-29-25(21-10-6-19(2)7-11-21)28-26(30-27)22-12-8-20(3)9-13-22;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h2*17-28,33-38H,9-16,29-32H2,1-8H3;7-18H,1-6H3;5-18H,1-4H3;6-17H,4-5,18H2,1-3H3;5-10H,1-4H3
InChIKeyFWIRAKPAGJVFQM-UHFFFAOYSA-N
MW2991.33 g/mol
LogP59.83
Rot. Bonds35

About bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene

bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene (PubChem CID 158161687) has the molecular formula C220H233N7O and a molecular weight of 2991.33 g/mol. Its IUPAC name is bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene.

Molecular Properties

Compound Namebis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene
PubChem CID158161687
Molecular FormulaC220H233N7O
Molecular Weight2991.33 g/mol
Exact Mass2988.84
IUPAC Namebis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene
SMILESCCCCOc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)cc1.CCCCc1cc(C)c(N(c2ccc(C)cc2)c2ccc3c(c2)C24CCCC2(CCC4)c2cc(N(c4ccc(C)cc4)c4c(C)cc(CCCC)cc4C)ccc2-3)c(C)c1.CCCCc1cc(C)c(N(c2ccc(C)cc2)c2ccc3c(c2)C24CCCC2(CCC4)c2cc(N(c4ccc(C)cc4)c4c(C)cc(CCCC)cc4C)ccc2-3)c(C)c1.Cc1cc(C)cc(C2(c3cc(C)cc(C)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2
InChIInChI=1S/2C58H66N2.C31H30.C29H26.C27H27N3O.C17H18/c2*1-9-11-15-45-33-41(5)55(42(6)34-45)59(47-21-17-39(3)18-22-47)49-25-27-51-52-28-26-50(38-54(52)58-31-13-29-57(58,30-14-32-58)53(51)37-49)60(48-23-19-40(4)20-24-48)56-43(7)35-46(16-12-10-2)36-44(56)8;1-19-7-9-27-28-10-8-20(2)18-30(28)31(29(27)17-19,25-13-21(3)11-22(4)14-25)26-15-23(5)12-24(6)16-26;1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-4-5-18-31-24-16-14-23(15-17-24)27-29-25(21-10-6-19(2)7-11-21)28-26(30-27)22-12-8-20(3)9-13-22;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h2*17-28,33-38H,9-16,29-32H2,1-8H3;7-18H,1-6H3;5-18H,1-4H3;6-17H,4-5,18H2,1-3H3;5-10H,1-4H3
InChIKeyFWIRAKPAGJVFQM-UHFFFAOYSA-N
XLogP59.83
TPSA60.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds35
Heavy Atoms228
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002991.33
LogP ≤ 559.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene with MolForge

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Related Compounds

2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9,9-bis(3,5-dimethylphenyl)-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(4-butylphenyl)-9,9-bis(3,5-dimethylphenyl)-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(3-butylphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine;9,9-bis(3,5-dimethylphenyl)-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;9,9-bis(3,5-dimethylphenyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284312
2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284315
4-N,11-N-bis(4-bromophenyl)-4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine
CID 118655597
4-N,11-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene
CID 158206312
CID 144946897
CID 144946897
2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine
CID 134392992
16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine
CID 158250325
4-tert-butyl-N-[4-[4-[N-(4-tert-butyl-2,6-dimethylphenyl)-4-[7-methyl-9,9-bis(4-octylphenyl)fluoren-2-yl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 88862267
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline
CID 140553755
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene)
CID 158502720
4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline
CID 140553747
12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetrakis(4-methylphenyl)-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline;2,7,9,9-tetramethylfluorene
CID 160577625

Frequently Asked Questions

What is the IUPAC name of bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene?
The IUPAC name of bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene (CID 158161687) is bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene.
What is the SMILES notation for bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene?
The canonical SMILES for bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene is CCCCOc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)cc1.CCCCc1cc(C)c(N(c2ccc(C)cc2)c2ccc3c(c2)C24CCCC2(CCC4)c2cc(N(c4ccc(C)cc4)c4c(C)cc(CCCC)cc4C)ccc2-3)c(C)c1.CCCCc1cc(C)c(N(c2ccc(C)cc2)c2ccc3c(c2)C24CCCC2(CCC4)c2cc(N(c4ccc(C)cc4)c4c(C)cc(CCCC)cc4C)ccc2-3)c(C)c1.Cc1cc(C)cc(C2(c3cc(C)cc(C)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.
What is the InChIKey of bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene?
The InChIKey is FWIRAKPAGJVFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H66N2.C31H30.C29H26.C27H27N3O.C17H18/c2*1-9-11-15-45-33-41(5)55(42(6)34-45)59(47-21-17-39(3)18-22-47)49-25-27-51-52-28-26-50(38-54(52)58-31-13-29-57(58,30-14-32-58)53(51)37-49)60(48-23-19-40(4)20-24-48)56-43(7)35-46(16-12-10-2)36-44(56)8;1-19-7-9-27-28-10-8-20(2)18-30(28)31(29(27)17-19,25-13-21(3)11-22(4)14-25)26-15-23(5)12-24(6)16-26;1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-4-5-18-31-24-16-14-23(15-17-24)27-29-25(21-10-6-19(2)7-11-21)28-26(30-27)22-12-8-20(3)9-13-22;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h2*17-28,33-38H,9-16,29-32H2,1-8H3;7-18H,1-6H3;5-18H,1-4H3;6-17H,4-5,18H2,1-3H3;5-10H,1-4H3.
What are the key properties of bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene?
bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene has a molecular weight of 2991.33 g/mol, XLogP of 59.83, 35 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-N,11-N-bis(4-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine);9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;2-(4-butoxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene is sourced from PubChem (CID 158161687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).