N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine

C66H61N — CID 145436597

IUPACN-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine
SMILESC=C/C=c1/c2c(ccc1=C)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc4c(c2)C(C)(C)c2cc5c(cc2-4)C(C)(C)c2ccc4ccccc4c2-5)ccc1-3
InChIInChI=1S/C66H61N/c1-14-17-44-38(2)20-30-52-60(44)50-36-56-48(34-58(50)63(52,6)7)46-28-26-42(32-54(46)65(56,10)11)67(41-24-22-40(23-25-41)62(3,4)5)43-27-29-47-49-35-59-51(37-57(49)66(12,13)55(47)33-43)61-45-19-16-15-18-39(45)21-31-53(61)64(59,8)9/h14-37H,1-2H2,3-13H3/b44-17+
InChIKeyAGEOJPIFBHUOMK-UODXMUSUSA-N
MW868.22 g/mol
LogP16.21
Rot. Bonds4

About N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine

N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine (PubChem CID 145436597) has the molecular formula C66H61N and a molecular weight of 868.22 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine
PubChem CID145436597
Molecular FormulaC66H61N
Molecular Weight868.22 g/mol
Exact Mass867.48
IUPAC NameN-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine
SMILESC=C/C=c1/c2c(ccc1=C)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc4c(c2)C(C)(C)c2cc5c(cc2-4)C(C)(C)c2ccc4ccccc4c2-5)ccc1-3
InChIInChI=1S/C66H61N/c1-14-17-44-38(2)20-30-52-60(44)50-36-56-48(34-58(50)63(52,6)7)46-28-26-42(32-54(46)65(56,10)11)67(41-24-22-40(23-25-41)62(3,4)5)43-27-29-47-49-35-59-51(37-57(49)66(12,13)55(47)33-43)61-45-19-16-15-18-39(45)21-31-53(61)64(59,8)9/h14-37H,1-2H2,3-13H3/b44-17+
InChIKeyAGEOJPIFBHUOMK-UODXMUSUSA-N
XLogP16.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.22
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine with MolForge

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Related Compounds

12,12,22,22-tetramethyl-N-phenanthren-3-yl-N-(4-phenylphenyl)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-undecaen-19-amine
CID 118122815
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,22,22-tetramethyl-N-phenylhexacyclo[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-undecaen-19-amine
CID 130290138
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168801947
N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[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-undecaen-19-amine
CID 118360823
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine
CID 164794440
(10E)-6,6,12,12-tetramethyl-9-methylidene-N,N-bis(4-phenylphenyl)-10-prop-2-enylideneindeno[1,2-b]fluoren-1-amine
CID 142540929
N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168802469
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802263
7-[(E)-2-[7-(4-tert-butyl-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074720
7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine
CID 143561123
N-(4-tert-butylphenyl)-N-(1-dibenzothiophen-1-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168802208

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine?
The IUPAC name of N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine (CID 145436597) is N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine is C=C/C=c1/c2c(ccc1=C)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc4c(c2)C(C)(C)c2cc5c(cc2-4)C(C)(C)c2ccc4ccccc4c2-5)ccc1-3.
What is the InChIKey of N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine?
The InChIKey is AGEOJPIFBHUOMK-UODXMUSUSA-N. The full InChI is InChI=1S/C66H61N/c1-14-17-44-38(2)20-30-52-60(44)50-36-56-48(34-58(50)63(52,6)7)46-28-26-42(32-54(46)65(56,10)11)67(41-24-22-40(23-25-41)62(3,4)5)43-27-29-47-49-35-59-51(37-57(49)66(12,13)55(47)33-43)61-45-19-16-15-18-39(45)21-31-53(61)64(59,8)9/h14-37H,1-2H2,3-13H3/b44-17+.
What are the key properties of N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine?
N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine has a molecular weight of 868.22 g/mol, XLogP of 16.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]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-undecaen-19-amine is sourced from PubChem (CID 145436597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).