2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole

C75H125N7 — CID 153488849

IUPAC2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
SMILESC1CCC(C2NC(C3CCCCC3)NC(C3CCCC(C4C5C(C6CCCCC6N5C5CCCCC5)C(N5C6CCCCC6C6CCCCC65)C(N5C6CCCCC6C6CCCCC65)C4N4C5CCCCC5C5CCCCC54)C3)N2)CC1
InChIInChI=1S/C75H125N7/c1-4-25-48(26-5-1)73-76-74(49-27-6-2-7-28-49)78-75(77-73)51-30-24-29-50(47-51)67-69-68(59-39-16-23-46-66(59)79(69)52-31-8-3-9-32-52)71(81-62-42-19-12-35-55(62)56-36-13-20-43-63(56)81)72(82-64-44-21-14-37-57(64)58-38-15-22-45-65(58)82)70(67)80-60-40-17-10-33-53(60)54-34-11-18-41-61(54)80/h48-78H,1-47H2
InChIKeyLHLFUPGVYVZRLS-UHFFFAOYSA-N
MW1124.87 g/mol
LogP15.94
Rot. Bonds8

About 2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole

2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole (PubChem CID 153488849) has the molecular formula C75H125N7 and a molecular weight of 1124.87 g/mol. Its IUPAC name is 2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole.

Molecular Properties

Compound Name2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
PubChem CID153488849
Molecular FormulaC75H125N7
Molecular Weight1124.87 g/mol
Exact Mass1124.00
IUPAC Name2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
SMILESC1CCC(C2NC(C3CCCCC3)NC(C3CCCC(C4C5C(C6CCCCC6N5C5CCCCC5)C(N5C6CCCCC6C6CCCCC65)C(N5C6CCCCC6C6CCCCC65)C4N4C5CCCCC5C5CCCCC54)C3)N2)CC1
InChIInChI=1S/C75H125N7/c1-4-25-48(26-5-1)73-76-74(49-27-6-2-7-28-49)78-75(77-73)51-30-24-29-50(47-51)67-69-68(59-39-16-23-46-66(59)79(69)52-31-8-3-9-32-52)71(81-62-42-19-12-35-55(62)56-36-13-20-43-63(56)81)72(82-64-44-21-14-37-57(64)58-38-15-22-45-65(58)82)70(67)80-60-40-17-10-33-53(60)54-34-11-18-41-61(54)80/h48-78H,1-47H2
InChIKeyLHLFUPGVYVZRLS-UHFFFAOYSA-N
XLogP15.94
TPSA49.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001124.87
LogP ≤ 515.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole with MolForge

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Related Compounds

5,6,7,8-Tetra(piperidin-1-yl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 54218452
5,12,20,27,35,42,50,57,62,66,69,72-Dodecazahexadecacyclo[29.29.7.316,64.346,64.13,59.15,12.114,18.120,27.129,33.135,42.144,48.150,57.06,11.021,26.036,41.051,56]henoctacontane
CID 102362241
7-Cyclohexyl-5-[4-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole
CID 121390028
8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-Dodecahydrocarbazol-9-yl)-5-[4-[3,5-bis(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole
CID 140888482
5,12-Bis[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole
CID 140888499
9-[4-[3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-9-yl)cyclohexyl]cyclohexyl]-3-N,3-N,6-N,6-N-tetracyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine
CID 140888500
5-[4-[3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-9-yl)cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
CID 140888513
11-Cyclohexyl-5-[1-(5-cyclohexylpiperazin-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1,2,3,4,4a,5a,6,6a,6b,7,8,9,10,10a,11a,12,12a,12b-octadecahydroindolo[3,2-b]carbazole
CID 140888519
5,12-Bis[3-(1,3-diazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole
CID 140888559
3-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-Dodecahydrocarbazol-9-yl)-9-(2,6-dicyclohexyl-1,3-diazinan-4-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 140888595
5,12-Bis[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydroindolo[3,2-c]carbazole
CID 140888618
8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-Dodecahydrocarbazol-9-yl)-5-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole
CID 140888622

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?
The IUPAC name of 2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole (CID 153488849) is 2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole.
What is the SMILES notation for 2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?
The canonical SMILES for 2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole is C1CCC(C2NC(C3CCCCC3)NC(C3CCCC(C4C5C(C6CCCCC6N5C5CCCCC5)C(N5C6CCCCC6C6CCCCC65)C(N5C6CCCCC6C6CCCCC65)C4N4C5CCCCC5C5CCCCC54)C3)N2)CC1.
What is the InChIKey of 2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?
The InChIKey is LHLFUPGVYVZRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H125N7/c1-4-25-48(26-5-1)73-76-74(49-27-6-2-7-28-49)78-75(77-73)51-30-24-29-50(47-51)67-69-68(59-39-16-23-46-66(59)79(69)52-31-8-3-9-32-52)71(81-62-42-19-12-35-55(62)56-36-13-20-43-63(56)81)72(82-64-44-21-14-37-57(64)58-38-15-22-45-65(58)82)70(67)80-60-40-17-10-33-53(60)54-34-11-18-41-61(54)80/h48-78H,1-47H2.
What are the key properties of 2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?
2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole has a molecular weight of 1124.87 g/mol, XLogP of 15.94, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-9-cyclohexyl-1-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole is sourced from PubChem (CID 153488849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).