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;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene

C117H114N2 — CID 160887945

IUPAC12,20-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;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene
SMILESCCCCc1ccc(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)c3ccccc3c1-2.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2
InChIInChI=1S/C79H76N2.C21H20.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;1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;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;5-12H,1-4H3;5-10H,1-4H3
InChIKeySNWRBWWISWAOPP-UHFFFAOYSA-N
MW1548.21 g/mol
LogP31.23
Rot. Bonds12

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;5,7,7,9-tetramethylbenzo[c]fluorene;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;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene (PubChem CID 160887945) has the molecular formula C117H114N2 and a molecular weight of 1548.21 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;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene.

Molecular Properties

Compound Name12,20-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;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene
PubChem CID160887945
Molecular FormulaC117H114N2
Molecular Weight1548.21 g/mol
Exact Mass1546.90
IUPAC Name12,20-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;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene
SMILESCCCCc1ccc(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)c3ccccc3c1-2.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2
InChIInChI=1S/C79H76N2.C21H20.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;1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;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;5-12H,1-4H3;5-10H,1-4H3
InChIKeySNWRBWWISWAOPP-UHFFFAOYSA-N
XLogP31.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001548.21
LogP ≤ 531.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene with MolForge

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Related Compounds

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
12,16,16,20-tetrakis(4-butylphenyl)-8,24-dimethyl-5,5,27,27-tetraphenyl-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
CID 89181793
12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-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;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-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;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-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
CID 159857765
7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene
CID 140661825
4-methyl-N-(4-methylphenyl)-N-[4-[9,19,22,22-tetramethyl-12-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-12-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl]phenyl]aniline
CID 90244035
8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-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
CID 71004390
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;carbon dioxide;ethyl 5-[9-(3-ethyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate
CID 157269825
16,16-bis(4-butylphenyl)-8,12,20,24-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
CID 162173298
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
5,12-bis(4-butylphenyl)-7,7,14,14-tetrakis(4-hexylphenyl)-2,9-dimethylquinolino[2,3-b]acridine;9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;N,N-bis(4-methylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 159079305
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
5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene
CID 123592313

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;5,7,7,9-tetramethylbenzo[c]fluorene;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;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene (CID 160887945) 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;5,7,7,9-tetramethylbenzo[c]fluorene;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;5,7,7,9-tetramethylbenzo[c]fluorene;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;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene is 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)c3ccccc3c1-2.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;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene?
The InChIKey is SNWRBWWISWAOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H76N2.C21H20.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;1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;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;5-12H,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;5,7,7,9-tetramethylbenzo[c]fluorene;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;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene has a molecular weight of 1548.21 g/mol, XLogP of 31.23, 12 rotatable bonds, 0 hydrogen bond donors, and 2 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;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene is sourced from PubChem (CID 160887945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).