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

C142H142N4 — CID 160577625

About 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

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 (PubChem CID 160577625) has the molecular formula C142H142N4 and a molecular weight of 1904.73 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160577625
• Molecular Formula: C142H142N4
• Molecular Weight: 1904.73 g/mol
• Exact Mass: 1903.12
• IUPAC Name: 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
• SMILES: CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(CCCC)cc4)cc3)cc2)cc1.CCCCc1ccc(N2c3ccc(C)cc3C(c3ccc(C)cc3)(c3ccc(C)cc3)c3cc4c(cc32)C(C)(C)c2cc3c(cc2-4)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(C)ccc2N3c2ccc(CCCC)cc2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2
• InChI: InChI=1S/C79H76N2.C46H48N2.C17H18/c1-11-13-15-57-27-39-63(40-28-57)80-73-43-25-55(7)45-69(73)78(59-31-17-51(3)18-32-59,60-33-19-52(4)20-34-60)71-47-65-66-48-72-76(50-68(66)77(9,10)67(65)49-75(71)80)81(64-41-29-58(30-42-64)16-14-12-2)74-44-26-56(8)46-70(74)79(72,61-35-21-53(5)22-36-61)62-37-23-54(6)24-38-62;1-5-7-9-37-15-27-43(28-16-37)47(41-23-11-35(3)12-24-41)45-31-19-39(20-32-45)40-21-33-46(34-22-40)48(42-25-13-36(4)14-26-42)44-29-17-38(18-30-44)10-8-6-2;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h17-50H,11-16H2,1-10H3;11-34H,5-10H2,1-4H3;5-10H,1-4H3
• InChIKey: RBIZZCZBSYMGGR-UHFFFAOYSA-N
• XLogP: 39.07
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 25
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1904.73
LogP ≤ 5	39.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(CCCC)cc4)cc3)cc2)cc1.CCCCc1ccc(N2c3ccc(C)cc3C(c3ccc(C)cc3)(c3ccc(C)cc3)c3cc4c(cc32)C(C)(C)c2cc3c(cc2-4)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(C)ccc2N3c2ccc(CCCC)cc2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.

What is the InChIKey of 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?

The InChIKey is RBIZZCZBSYMGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H76N2.C46H48N2.C17H18/c1-11-13-15-57-27-39-63(40-28-57)80-73-43-25-55(7)45-69(73)78(59-31-17-51(3)18-32-59,60-33-19-52(4)20-34-60)71-47-65-66-48-72-76(50-68(66)77(9,10)67(65)49-75(71)80)81(64-41-29-58(30-42-64)16-14-12-2)74-44-26-56(8)46-70(74)79(72,61-35-21-53(5)22-36-61)62-37-23-54(6)24-38-62;1-5-7-9-37-15-27-43(28-16-37)47(41-23-11-35(3)12-24-41)45-31-19-39(20-32-45)40-21-33-46(34-22-40)48(42-25-13-36(4)14-26-42)44-29-17-38(18-30-44)10-8-6-2;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h17-50H,11-16H2,1-10H3;11-34H,5-10H2,1-4H3;5-10H,1-4H3.

What are the key properties of 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?

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 has a molecular weight of 1904.73 g/mol, XLogP of 39.07, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160577625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).