tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine

C141H186N2O2S4 — CID 164974637

IUPACtert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine
SMILESCCCCC1(CCCC)c2cc3c(cc2-c2cc4c(cc21)-c1ccsc1C4(CCCC)CCCC)C(CCCC)(CCCC)c1cc(C)sc1-3.CCCCC1(CCCC)c2cc3c(cc2-c2cc4c(cc21)-c1ccsc1C4(CCCC)CCCC)C(CCCC)(CCCC)c1cc(C)sc1-3.Cc1ccc2c(c1)C(C)(CCCCN)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(C)(CCCCNC(=O)OC(C)(C)C)c1cc(C)ccc1-2
InChIInChI=1S/2C48H64S2.C25H33NO2.C20H25N/c2*1-8-14-21-46(22-15-9-2)39-29-35-34-20-27-49-45(34)48(25-18-12-5,26-19-13-6)41(35)30-36(39)37-31-42-38(32-40(37)46)44-43(28-33(7)50-44)47(42,23-16-10-3)24-17-11-4;1-17-9-11-19-20-12-10-18(2)16-22(20)25(6,21(19)15-17)13-7-8-14-26-23(27)28-24(3,4)5;1-14-6-8-16-17-9-7-15(2)13-19(17)20(3,18(16)12-14)10-4-5-11-21/h2*20,27-32H,8-19,21-26H2,1-7H3;9-12,15-16H,7-8,13-14H2,1-6H3,(H,26,27);6-9,12-13H,4-5,10-11,21H2,1-3H3
InChIKeyDPHLWJBXJCQLRP-UHFFFAOYSA-N
MW2069.32 g/mol
LogP43.12
Rot. Bonds45

About tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine

tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine (PubChem CID 164974637) has the molecular formula C141H186N2O2S4 and a molecular weight of 2069.32 g/mol. Its IUPAC name is tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine.

Molecular Properties

Compound Nametert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine
PubChem CID164974637
Molecular FormulaC141H186N2O2S4
Molecular Weight2069.32 g/mol
Exact Mass2067.34
IUPAC Nametert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine
SMILESCCCCC1(CCCC)c2cc3c(cc2-c2cc4c(cc21)-c1ccsc1C4(CCCC)CCCC)C(CCCC)(CCCC)c1cc(C)sc1-3.CCCCC1(CCCC)c2cc3c(cc2-c2cc4c(cc21)-c1ccsc1C4(CCCC)CCCC)C(CCCC)(CCCC)c1cc(C)sc1-3.Cc1ccc2c(c1)C(C)(CCCCN)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(C)(CCCCNC(=O)OC(C)(C)C)c1cc(C)ccc1-2
InChIInChI=1S/2C48H64S2.C25H33NO2.C20H25N/c2*1-8-14-21-46(22-15-9-2)39-29-35-34-20-27-49-45(34)48(25-18-12-5,26-19-13-6)41(35)30-36(39)37-31-42-38(32-40(37)46)44-43(28-33(7)50-44)47(42,23-16-10-3)24-17-11-4;1-17-9-11-19-20-12-10-18(2)16-22(20)25(6,21(19)15-17)13-7-8-14-26-23(27)28-24(3,4)5;1-14-6-8-16-17-9-7-15(2)13-19(17)20(3,18(16)12-14)10-4-5-11-21/h2*20,27-32H,8-19,21-26H2,1-7H3;9-12,15-16H,7-8,13-14H2,1-6H3,(H,26,27);6-9,12-13H,4-5,10-11,21H2,1-3H3
InChIKeyDPHLWJBXJCQLRP-UHFFFAOYSA-N
XLogP43.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds45
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002069.32
LogP ≤ 543.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine with MolForge

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Related Compounds

tert-butyl N-[4-(2,7-dibromo-9-methylfluoren-9-yl)butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;8,20-dibromo-5,5,14,14,23,23-hexabutyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene;5,5,14,14,23,23-hexabutyl-8,20-dimethyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene;2-[5,5,14,14,23,23-hexabutyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaen-20-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 159011123
2-bromo-5,10,10-tributyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]indole;tert-butyl N-[4-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]butyl]carbamate;tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;5,10,10-tributyl-2,7-dimethylindeno[1,2-b]indole
CID 160526682
9-hexyl-2,7,9-trimethylfluorene
CID 123978298
bis(16,16-bis[3-(2-methoxyethoxy)propyl]-3,11-dimethyl-7-oxatetracyclo[11.2.1.05,15.09,14]hexadeca-1,3,5(15),9(14),10,12-hexaene);2-[11-bromo-16,16-bis[3-(2-methoxyethoxy)propyl]-7-oxatetracyclo[11.2.1.05,15.09,14]hexadeca-1,3,5(15),9(14),10,12-hexaen-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl N-[3-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]propyl]carbamate;tert-butyl N-[3-(2,7,9-trimethylfluoren-9-yl)propyl]carbamate;ethane;3-(2,7,9-trimethylfluoren-9-yl)propan-1-amine
CID 159414855
9,9,18,18-tetraoctyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
CID 58435013
4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde
CID 160500638
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2-[9,9-didecyl-7-(5-methylthiophen-2-yl)fluoren-2-yl]-5-methylthiophene
CID 21350992
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate
CID 101399946
2-(7-methyl-9,9-dioctylfluoren-2-yl)-5-(4-octoxyphenyl)thiophene
CID 71079155
tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate
CID 102729851

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine?
The IUPAC name of tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine (CID 164974637) is tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine.
What is the SMILES notation for tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine?
The canonical SMILES for tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine is CCCCC1(CCCC)c2cc3c(cc2-c2cc4c(cc21)-c1ccsc1C4(CCCC)CCCC)C(CCCC)(CCCC)c1cc(C)sc1-3.CCCCC1(CCCC)c2cc3c(cc2-c2cc4c(cc21)-c1ccsc1C4(CCCC)CCCC)C(CCCC)(CCCC)c1cc(C)sc1-3.Cc1ccc2c(c1)C(C)(CCCCN)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(C)(CCCCNC(=O)OC(C)(C)C)c1cc(C)ccc1-2.
What is the InChIKey of tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine?
The InChIKey is DPHLWJBXJCQLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H64S2.C25H33NO2.C20H25N/c2*1-8-14-21-46(22-15-9-2)39-29-35-34-20-27-49-45(34)48(25-18-12-5,26-19-13-6)41(35)30-36(39)37-31-42-38(32-40(37)46)44-43(28-33(7)50-44)47(42,23-16-10-3)24-17-11-4;1-17-9-11-19-20-12-10-18(2)16-22(20)25(6,21(19)15-17)13-7-8-14-26-23(27)28-24(3,4)5;1-14-6-8-16-17-9-7-15(2)13-19(17)20(3,18(16)12-14)10-4-5-11-21/h2*20,27-32H,8-19,21-26H2,1-7H3;9-12,15-16H,7-8,13-14H2,1-6H3,(H,26,27);6-9,12-13H,4-5,10-11,21H2,1-3H3.
What are the key properties of tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine?
tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine has a molecular weight of 2069.32 g/mol, XLogP of 43.12, 45 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2,7,9-trimethylfluoren-9-yl)butyl]carbamate;bis(5,5,14,14,23,23-hexabutyl-20-methyl-7,19-dithiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),8,11,15,17(24),18(22),20-decaene);4-(2,7,9-trimethylfluoren-9-yl)butan-1-amine is sourced from PubChem (CID 164974637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).