(6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole

C34H35N3 — CID 155805566

IUPAC(6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole
SMILESc1ccc2c([C@H]3CCCCCCCC[C@@H](c4c[nH]c5ccccc45)c4c3[nH]c3ccccc43)c[nH]c2c1
InChIInChI=1S/C34H35N3/c1-2-4-6-16-26(29-22-36-31-19-11-8-14-24(29)31)34-33(27-17-9-12-20-32(27)37-34)25(15-5-3-1)28-21-35-30-18-10-7-13-23(28)30/h7-14,17-22,25-26,35-37H,1-6,15-16H2/t25-,26+/m0/s1
InChIKeyOJSVMGCVRIXMCO-IZZNHLLZSA-N
MW485.68 g/mol
LogP9.53
Rot. Bonds2

About (6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole

(6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole (PubChem CID 155805566) has the molecular formula C34H35N3 and a molecular weight of 485.68 g/mol. Its IUPAC name is (6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole.

Molecular Properties

Compound Name(6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole
PubChem CID155805566
Molecular FormulaC34H35N3
Molecular Weight485.68 g/mol
Exact Mass485.28
IUPAC Name(6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole
SMILESc1ccc2c([C@H]3CCCCCCCC[C@@H](c4c[nH]c5ccccc45)c4c3[nH]c3ccccc43)c[nH]c2c1
InChIInChI=1S/C34H35N3/c1-2-4-6-16-26(29-22-36-31-19-11-8-14-24(29)31)34-33(27-17-9-12-20-32(27)37-34)25(15-5-3-1)28-21-35-30-18-10-7-13-23(28)30/h7-14,17-22,25-26,35-37H,1-6,15-16H2/t25-,26+/m0/s1
InChIKeyOJSVMGCVRIXMCO-IZZNHLLZSA-N
XLogP9.53
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.68
LogP ≤ 59.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Analyze (6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole with MolForge

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Related Compounds

(2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene
CID 155807475
(5S)-5-(1H-indol-3-yl)-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indol-1-one
CID 102149206
(1R,3R)-2-bromo-1,3-bis(1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 155816934
1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 121437743
3-(oxan-2-yl)-1H-indole
CID 174577844
(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 69032046
4-(2-cyclopropyl-1H-indol-3-yl)cyclohexan-1-ol
CID 69112846
methane;3-piperidin-4-yl-1H-indole
CID 70444570
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
3-(6-fluoropiperidin-2-yl)-1H-indole
CID 154427287
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337

Frequently Asked Questions

What is the IUPAC name of (6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole?
The IUPAC name of (6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole (CID 155805566) is (6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole.
What is the SMILES notation for (6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole?
The canonical SMILES for (6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole is c1ccc2c([C@H]3CCCCCCCC[C@@H](c4c[nH]c5ccccc45)c4c3[nH]c3ccccc43)c[nH]c2c1.
What is the InChIKey of (6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole?
The InChIKey is OJSVMGCVRIXMCO-IZZNHLLZSA-N. The full InChI is InChI=1S/C34H35N3/c1-2-4-6-16-26(29-22-36-31-19-11-8-14-24(29)31)34-33(27-17-9-12-20-32(27)37-34)25(15-5-3-1)28-21-35-30-18-10-7-13-23(28)30/h7-14,17-22,25-26,35-37H,1-6,15-16H2/t25-,26+/m0/s1.
What are the key properties of (6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole?
(6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole has a molecular weight of 485.68 g/mol, XLogP of 9.53, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole is sourced from PubChem (CID 155805566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).