2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole

C150H160BClN8O4 — CID 163788585

IUPAC2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9c78)n6)cc5)CC[C@]4(C)[C@H]3CC[C@]12C.CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(c5ccc(-c6nc(Cl)nc(-c7ccccc7)n6)cc5)CC[C@]4(C)[C@H]3CC[C@]12C.CC1(C)OB(c2cccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c23)OC1(C)C
InChIInChI=1S/C72H74N4O.C42H56ClN3.C36H30BNO3/c1-45(2)16-14-17-46(3)60-34-35-61-56-33-32-53-42-52(38-40-71(53,4)62(56)39-41-72(60,61)5)47-26-28-49(29-27-47)69-73-68(48-18-8-6-9-19-48)74-70(75-69)57-23-15-25-66-67(57)59-44-51(31-37-65(59)77-66)50-30-36-64-58(43-50)55-22-12-13-24-63(55)76(64)54-20-10-7-11-21-54;1-27(2)10-9-11-28(3)35-20-21-36-34-19-18-33-26-32(22-24-41(33,4)37(34)23-25-42(35,36)5)29-14-16-31(17-15-29)39-44-38(45-40(43)46-39)30-12-7-6-8-13-30;1-35(2)36(3,4)41-37(40-35)29-14-10-16-33-34(29)28-22-24(18-20-32(28)39-33)23-17-19-31-27(21-23)26-13-8-9-15-30(26)38(31)25-11-6-5-7-12-25/h6-13,15,18-31,36-37,43-46,52-53,56,60-62H,14,16-17,32-35,38-42H2,1-5H3;6-8,12-17,27-28,32-37H,9-11,18-26H2,1-5H3;5-22H,1-4H3/t46-,52?,53+,56+,60-,61+,62+,71+,72-;28-,32?,33+,34+,35-,36+,37+,41+,42-;/m11./s1
InChIKeyMUSGNUYGIIBHIB-DXORCWSBSA-N
MW2185.25 g/mol
LogP40.45
Rot. Bonds22

About 2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole

2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole (PubChem CID 163788585) has the molecular formula C150H160BClN8O4 and a molecular weight of 2185.25 g/mol. Its IUPAC name is 2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole
PubChem CID163788585
Molecular FormulaC150H160BClN8O4
Molecular Weight2185.25 g/mol
Exact Mass2183.23
IUPAC Name2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9c78)n6)cc5)CC[C@]4(C)[C@H]3CC[C@]12C.CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(c5ccc(-c6nc(Cl)nc(-c7ccccc7)n6)cc5)CC[C@]4(C)[C@H]3CC[C@]12C.CC1(C)OB(c2cccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c23)OC1(C)C
InChIInChI=1S/C72H74N4O.C42H56ClN3.C36H30BNO3/c1-45(2)16-14-17-46(3)60-34-35-61-56-33-32-53-42-52(38-40-71(53,4)62(56)39-41-72(60,61)5)47-26-28-49(29-27-47)69-73-68(48-18-8-6-9-19-48)74-70(75-69)57-23-15-25-66-67(57)59-44-51(31-37-65(59)77-66)50-30-36-64-58(43-50)55-22-12-13-24-63(55)76(64)54-20-10-7-11-21-54;1-27(2)10-9-11-28(3)35-20-21-36-34-19-18-33-26-32(22-24-41(33,4)37(34)23-25-42(35,36)5)29-14-16-31(17-15-29)39-44-38(45-40(43)46-39)30-12-7-6-8-13-30;1-35(2)36(3,4)41-37(40-35)29-14-10-16-33-34(29)28-22-24(18-20-32(28)39-33)23-17-19-31-27(21-23)26-13-8-9-15-30(26)38(31)25-11-6-5-7-12-25/h6-13,15,18-31,36-37,43-46,52-53,56,60-62H,14,16-17,32-35,38-42H2,1-5H3;6-8,12-17,27-28,32-37H,9-11,18-26H2,1-5H3;5-22H,1-4H3/t46-,52?,53+,56+,60-,61+,62+,71+,72-;28-,32?,33+,34+,35-,36+,37+,41+,42-;/m11./s1
InChIKeyMUSGNUYGIIBHIB-DXORCWSBSA-N
XLogP40.45
TPSA131.94 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002185.25
LogP ≤ 540.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole with MolForge

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Related Compounds

11-[3-[4-[4-[(5S,8R,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[a]carbazole
CID 135259057
(5S,8R,9S,10S,13R,14S,17R)-3-(4-bromophenyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine
CID 163541309
5-[3-[4-[4-[10,13-dimethyl-17-(5-methylhexyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166852239
9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 118507900
5-[4-[4-[10,13-dimethyl-17-(5-methylhexyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11,11-diphenylindeno[1,2-b]carbazole
CID 166852252
(5S,8R,9S,10S,13R,14S,17R)-3-(4-chlorophenyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162483817
3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768529
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 168768477
3-[2-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602257
3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767917

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole (CID 163788585) is 2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole is CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9c78)n6)cc5)CC[C@]4(C)[C@H]3CC[C@]12C.CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(c5ccc(-c6nc(Cl)nc(-c7ccccc7)n6)cc5)CC[C@]4(C)[C@H]3CC[C@]12C.CC1(C)OB(c2cccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c23)OC1(C)C.
What is the InChIKey of 2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole?
The InChIKey is MUSGNUYGIIBHIB-DXORCWSBSA-N. The full InChI is InChI=1S/C72H74N4O.C42H56ClN3.C36H30BNO3/c1-45(2)16-14-17-46(3)60-34-35-61-56-33-32-53-42-52(38-40-71(53,4)62(56)39-41-72(60,61)5)47-26-28-49(29-27-47)69-73-68(48-18-8-6-9-19-48)74-70(75-69)57-23-15-25-66-67(57)59-44-51(31-37-65(59)77-66)50-30-36-64-58(43-50)55-22-12-13-24-63(55)76(64)54-20-10-7-11-21-54;1-27(2)10-9-11-28(3)35-20-21-36-34-19-18-33-26-32(22-24-41(33,4)37(34)23-25-42(35,36)5)29-14-16-31(17-15-29)39-44-38(45-40(43)46-39)30-12-7-6-8-13-30;1-35(2)36(3,4)41-37(40-35)29-14-10-16-33-34(29)28-22-24(18-20-32(28)39-33)23-17-19-31-27(21-23)26-13-8-9-15-30(26)38(31)25-11-6-5-7-12-25/h6-13,15,18-31,36-37,43-46,52-53,56,60-62H,14,16-17,32-35,38-42H2,1-5H3;6-8,12-17,27-28,32-37H,9-11,18-26H2,1-5H3;5-22H,1-4H3/t46-,52?,53+,56+,60-,61+,62+,71+,72-;28-,32?,33+,34+,35-,36+,37+,41+,42-;/m11./s1.
What are the key properties of 2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole?
2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole has a molecular weight of 2185.25 g/mol, XLogP of 40.45, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazine;3-[9-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 163788585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).