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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene

C217H241N5O3 — CID 160739085

About 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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene

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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene (PubChem CID 160739085) has the molecular formula C217H241N5O3 and a molecular weight of 2967.35 g/mol. Its IUPAC name is 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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene.

Molecular Properties

• Compound Name: 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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene
• PubChem CID: 160739085
• Molecular Formula: C217H241N5O3
• Molecular Weight: 2967.35 g/mol
• Exact Mass: 2964.89
• IUPAC Name: 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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene
• SMILES: CCCCC1CC[C@@]23CCC[C@@]12c1cc(N(c2ccc(C)cc2)c2c(C)cc(C(C)(C)C)cc2C)ccc1-c1ccc(N(c2ccc(C)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc13.COc1cc2c(cc1C)oc1cc(C)c(OC)cc12.Cc1cc(C)c(C)cc1C.Cc1cc(C)cc(C2(c3cc(C)cc(C)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.Cc1ccc(N(c2ccc3c(c2)C24CCCC2(CCC4)c2cc(N(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)ccc2-3)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)c1
• InChI: InChI=1S/C62H74N2.C58H66N2.C40H41N.C31H30.C16H16O3.C10H14/c1-14-15-17-46-30-33-61-31-16-32-62(46,61)56-39-52(64(50-24-20-41(3)21-25-50)58-44(6)36-48(37-45(58)7)60(11,12)13)27-29-54(56)53-28-26-51(38-55(53)61)63(49-22-18-40(2)19-23-49)57-42(4)34-47(35-43(57)5)59(8,9)10;1-37-15-19-45(20-16-37)59(53-39(3)31-43(32-40(53)4)55(7,8)9)47-23-25-49-50-26-24-48(36-52(50)58-29-13-27-57(58,28-14-30-58)51(49)35-47)60(46-21-17-38(2)18-22-46)54-41(5)33-44(34-42(54)6)56(10,11)12;1-26-9-19-37-35(21-26)36-22-27(2)10-20-38(36)41(37)34-24-30(28-11-15-32(16-12-28)39(3,4)5)23-31(25-34)29-13-17-33(18-14-29)40(6,7)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;1-9-5-15-11(7-13(9)17-3)12-8-14(18-4)10(2)6-16(12)19-15;1-7-5-9(3)10(4)6-8(7)2/h18-29,34-39,46H,14-17,30-33H2,1-13H3;15-26,31-36H,13-14,27-30H2,1-12H3;9-25H,1-8H3;7-18H,1-6H3;5-8H,1-4H3;5-6H,1-4H3/t46?,61-,62+;;;;;/m1...../s1
• InChIKey: RVIIVZUNEIKKLA-HGUROMNXSA-N
• XLogP: 60.98
• TPSA: 49.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2967.35
LogP ≤ 5	60.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene?

The IUPAC name of 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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene (CID 160739085) is 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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene.

What is the SMILES notation for 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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene?

The canonical SMILES for 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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene is CCCCC1CC[C@@]23CCC[C@@]12c1cc(N(c2ccc(C)cc2)c2c(C)cc(C(C)(C)C)cc2C)ccc1-c1ccc(N(c2ccc(C)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc13.COc1cc2c(cc1C)oc1cc(C)c(OC)cc12.Cc1cc(C)c(C)cc1C.Cc1cc(C)cc(C2(c3cc(C)cc(C)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.Cc1ccc(N(c2ccc3c(c2)C24CCCC2(CCC4)c2cc(N(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)ccc2-3)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)c1.

What is the InChIKey of 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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene?

The InChIKey is RVIIVZUNEIKKLA-HGUROMNXSA-N. The full InChI is InChI=1S/C62H74N2.C58H66N2.C40H41N.C31H30.C16H16O3.C10H14/c1-14-15-17-46-30-33-61-31-16-32-62(46,61)56-39-52(64(50-24-20-41(3)21-25-50)58-44(6)36-48(37-45(58)7)60(11,12)13)27-29-54(56)53-28-26-51(38-55(53)61)63(49-22-18-40(2)19-23-49)57-42(4)34-47(35-43(57)5)59(8,9)10;1-37-15-19-45(20-16-37)59(53-39(3)31-43(32-40(53)4)55(7,8)9)47-23-25-49-50-26-24-48(36-52(50)58-29-13-27-57(58,28-14-30-58)51(49)35-47)60(46-21-17-38(2)18-22-46)54-41(5)33-44(34-42(54)6)56(10,11)12;1-26-9-19-37-35(21-26)36-22-27(2)10-20-38(36)41(37)34-24-30(28-11-15-32(16-12-28)39(3,4)5)23-31(25-34)29-13-17-33(18-14-29)40(6,7)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;1-9-5-15-11(7-13(9)17-3)12-8-14(18-4)10(2)6-16(12)19-15;1-7-5-9(3)10(4)6-8(7)2/h18-29,34-39,46H,14-17,30-33H2,1-13H3;15-26,31-36H,13-14,27-30H2,1-12H3;9-25H,1-8H3;7-18H,1-6H3;5-8H,1-4H3;5-6H,1-4H3/t46?,61-,62+;;;;;/m1...../s1.

What are the key properties of 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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene?

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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene has a molecular weight of 2967.35 g/mol, XLogP of 60.98, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-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;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 160739085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).