1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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)

C214H236N4 — CID 158357425

About 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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)

1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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) (PubChem CID 158357425) has the molecular formula C214H236N4 and a molecular weight of 2864.27 g/mol. Its IUPAC name is 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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).

Molecular Properties

• Compound Name: 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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)
• PubChem CID: 158357425
• Molecular Formula: C214H236N4
• Molecular Weight: 2864.27 g/mol
• Exact Mass: 2861.86
• IUPAC Name: 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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)
• SMILES: CCCCc1ccc(CC2CC34CC(Cc5ccc(CCCC)cc5)CC3(C2)c2cc(C)ccc2-c2ccc(C)cc24)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3c(C)cc(C(C)(C)C)cc3C)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.Cc1ccc2c(c1)C13CC(C)CC1(CC(C)C3)c1cc(C)ccc1-2.Cc1ccc2c(c1)C13CC(C)CC1(CC(C)C3)c1cc(C)ccc1-2
• InChI: InChI=1S/C44H52N2.C44H52.C43H40N2.C35H36.2C24H28/c1-29-13-17-37(18-14-29)45(41-31(3)25-35(26-32(41)4)43(7,8)9)39-21-23-40(24-22-39)46(38-19-15-30(2)16-20-38)42-33(5)27-36(28-34(42)6)44(10,11)12;1-5-7-9-33-13-17-35(18-14-33)25-37-27-43-29-38(26-36-19-15-34(16-20-36)10-8-6-2)30-44(43,28-37)42-24-32(4)12-22-40(42)39-21-11-31(3)23-41(39)43;1-29-7-15-33(16-8-29)44(34-17-9-30(2)10-18-34)37-23-25-39-40-26-24-38(28-42(40)43(5,6)41(39)27-37)45(35-19-11-31(3)12-20-35)36-21-13-32(4)14-22-36;1-21-9-13-25-26-14-10-22(2)18-30(26)35(29(25)17-21)31-19-23(33(3,4)5)11-15-27(31)28-16-12-24(20-32(28)35)34(6,7)8;2*1-15-5-7-19-20-8-6-16(2)10-22(20)24-13-17(3)11-23(24,21(19)9-15)12-18(4)14-24/h13-28H,1-12H3;11-24,37-38H,5-10,25-30H2,1-4H3;7-28H,1-6H3;9-20H,1-8H3;2*5-10,17-18H,11-14H2,1-4H3
• InChIKey: GTAYFPVMIUWDCF-UHFFFAOYSA-N
• XLogP: 58.57
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 22
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2864.27
LogP ≤ 5	58.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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)?

The IUPAC name of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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 158357425) is 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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).

What is the SMILES notation for 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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)?

The canonical SMILES for 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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) is CCCCc1ccc(CC2CC34CC(Cc5ccc(CCCC)cc5)CC3(C2)c2cc(C)ccc2-c2ccc(C)cc24)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3c(C)cc(C(C)(C)C)cc3C)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.Cc1ccc2c(c1)C13CC(C)CC1(CC(C)C3)c1cc(C)ccc1-2.Cc1ccc2c(c1)C13CC(C)CC1(CC(C)C3)c1cc(C)ccc1-2.

What is the InChIKey of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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)?

The InChIKey is GTAYFPVMIUWDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52N2.C44H52.C43H40N2.C35H36.2C24H28/c1-29-13-17-37(18-14-29)45(41-31(3)25-35(26-32(41)4)43(7,8)9)39-21-23-40(24-22-39)46(38-19-15-30(2)16-20-38)42-33(5)27-36(28-34(42)6)44(10,11)12;1-5-7-9-33-13-17-35(18-14-33)25-37-27-43-29-38(26-36-19-15-34(16-20-36)10-8-6-2)30-44(43,28-37)42-24-32(4)12-22-40(42)39-21-11-31(3)23-41(39)43;1-29-7-15-33(16-8-29)44(34-17-9-30(2)10-18-34)37-23-25-39-40-26-24-38(28-42(40)43(5,6)41(39)27-37)45(35-19-11-31(3)12-20-35)36-21-13-32(4)14-22-36;1-21-9-13-25-26-14-10-22(2)18-30(26)35(29(25)17-21)31-19-23(33(3,4)5)11-15-27(31)28-16-12-24(20-32(28)35)34(6,7)8;2*1-15-5-7-19-20-8-6-16(2)10-22(20)24-13-17(3)11-23(24,21(19)9-15)12-18(4)14-24/h13-28H,1-12H3;11-24,37-38H,5-10,25-30H2,1-4H3;7-28H,1-6H3;9-20H,1-8H3;2*5-10,17-18H,11-14H2,1-4H3.

What are the key properties of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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)?

1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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) has a molecular weight of 2864.27 g/mol, XLogP of 58.57, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;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];9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;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) is sourced from PubChem (CID 158357425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).