4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane

C35H37ClN4 — CID 143960040

IUPAC4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane
SMILESCCC.Cc1ccc2[nH]c3c(CCCCNCc4c[nH]c5ccccc45)c4[nH]c5ccc(Cl)cc5c4cc3c2c1
InChIInChI=1S/C32H29ClN4.C3H8/c1-19-9-11-29-24(14-19)26-16-27-25-15-21(33)10-12-30(25)37-32(27)23(31(26)36-29)7-4-5-13-34-17-20-18-35-28-8-3-2-6-22(20)28;1-3-2/h2-3,6,8-12,14-16,18,34-37H,4-5,7,13,17H2,1H3;3H2,1-2H3
InChIKeyOBSOZDYRYRMCQQ-UHFFFAOYSA-N
MW549.16 g/mol
LogP9.93
Rot. Bonds7

About 4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane

4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane (PubChem CID 143960040) has the molecular formula C35H37ClN4 and a molecular weight of 549.16 g/mol. Its IUPAC name is 4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane.

Molecular Properties

Compound Name4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane
PubChem CID143960040
Molecular FormulaC35H37ClN4
Molecular Weight549.16 g/mol
Exact Mass548.27
IUPAC Name4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane
SMILESCCC.Cc1ccc2[nH]c3c(CCCCNCc4c[nH]c5ccccc45)c4[nH]c5ccc(Cl)cc5c4cc3c2c1
InChIInChI=1S/C32H29ClN4.C3H8/c1-19-9-11-29-24(14-19)26-16-27-25-15-21(33)10-12-30(25)37-32(27)23(31(26)36-29)7-4-5-13-34-17-20-18-35-28-8-3-2-6-22(20)28;1-3-2/h2-3,6,8-12,14-16,18,34-37H,4-5,7,13,17H2,1H3;3H2,1-2H3
InChIKeyOBSOZDYRYRMCQQ-UHFFFAOYSA-N
XLogP9.93
TPSA59.40 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.16
LogP ≤ 59.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 5302583
6-chloro-2(1H-indol-3-yl)-4-phenyl-quinoline
CID 54613196
8-[4-[4-(5-chloro-1H-indol-3-yl)butyl]piperazin-1-yl]-1,2,3,4-tetrahydroacridin-9-amine
CID 145962581
3-[[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline
CID 9885485
1H-Indole, 3,3'-methylenebis[5-chloro-
CID 9901435
5-Chloro-3-[cis-4-[4-(1H-indol-4-yl)-1-piperazinyl]-cyclohexyl]-1H-indole
CID 10113692
5-Chloro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-1H-indole
CID 10340978
3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-chloro-1H-indole
CID 44413379
5-chloro-3-[5-(5-chloro-1H-indol-3-yl)pyrazin-2-yl]-1H-indole
CID 134816916
Indimicin B
CID 86342739
5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridyl]-1H-indole
CID 134817075
5-chloro-3-[6-(5-chloro-1H-indol-3-yl)pyrazin-2-yl]-1H-indole
CID 162649894

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane?
The IUPAC name of 4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane (CID 143960040) is 4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane.
What is the SMILES notation for 4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane?
The canonical SMILES for 4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane is CCC.Cc1ccc2[nH]c3c(CCCCNCc4c[nH]c5ccccc45)c4[nH]c5ccc(Cl)cc5c4cc3c2c1.
What is the InChIKey of 4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane?
The InChIKey is OBSOZDYRYRMCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN4.C3H8/c1-19-9-11-29-24(14-19)26-16-27-25-15-21(33)10-12-30(25)37-32(27)23(31(26)36-29)7-4-5-13-34-17-20-18-35-28-8-3-2-6-22(20)28;1-3-2/h2-3,6,8-12,14-16,18,34-37H,4-5,7,13,17H2,1H3;3H2,1-2H3.
What are the key properties of 4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane?
4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane has a molecular weight of 549.16 g/mol, XLogP of 9.93, 7 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-10-methyl-5,7-dihydroindolo[2,3-b]carbazol-6-yl)-N-(1H-indol-3-ylmethyl)butan-1-amine;propane is sourced from PubChem (CID 143960040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).