5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole

C35H29N3 — CID 12023411

IUPAC5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole
SMILESC=CCn1cc(-c2c3c(cc4c5ccccc5n(CC=C)c24)c2ccccc2n3CC=C)c2ccccc21
InChIInChI=1S/C35H29N3/c1-4-19-36-23-29(26-15-7-10-16-30(26)36)33-34-27(24-13-8-11-17-31(24)37(34)20-5-2)22-28-25-14-9-12-18-32(25)38(21-6-3)35(28)33/h4-18,22-23H,1-3,19-21H2
InChIKeyOTVDQHLAEBHJKT-UHFFFAOYSA-N
MW491.64 g/mol
LogP9.08
Rot. Bonds7

About 5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole

5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole (PubChem CID 12023411) has the molecular formula C35H29N3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole
PubChem CID12023411
Molecular FormulaC35H29N3
Molecular Weight491.64 g/mol
Exact Mass491.24
IUPAC Name5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole
SMILESC=CCn1cc(-c2c3c(cc4c5ccccc5n(CC=C)c24)c2ccccc2n3CC=C)c2ccccc21
InChIInChI=1S/C35H29N3/c1-4-19-36-23-29(26-15-7-10-16-30(26)36)33-34-27(24-13-8-11-17-31(24)37(34)20-5-2)22-28-25-14-9-12-18-32(25)38(21-6-3)35(28)33/h4-18,22-23H,1-3,19-21H2
InChIKeyOTVDQHLAEBHJKT-UHFFFAOYSA-N
XLogP9.08
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Latrepirdine
CID 197033
5-(3-benzylpyrrolidin-3-yl)-1-methyl-1H-indole
CID 44230733
1-Cyclohexyl-N-((1-(4-methylphenyl)-1H-indol-3-YL)methyl)methanamine
CID 16122612
2-Methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186429
2,8-dimethyl-5-(2-(pyridin-4-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 621659
1,1,1-Tris(3-indolyl)methane
CID 254323
Latrepirdine Dihydrochloride
CID 23729232
Benzindopyrine
CID 21770
2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine
CID 44397102
1-(9-ethyl-9H-carbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 4722575
2-Methyl-5-[7-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)heptyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186425
2-Methyl-5-[8-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)octyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186427

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole?
The IUPAC name of 5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole (CID 12023411) is 5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole.
What is the SMILES notation for 5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole?
The canonical SMILES for 5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole is C=CCn1cc(-c2c3c(cc4c5ccccc5n(CC=C)c24)c2ccccc2n3CC=C)c2ccccc21.
What is the InChIKey of 5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole?
The InChIKey is OTVDQHLAEBHJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N3/c1-4-19-36-23-29(26-15-7-10-16-30(26)36)33-34-27(24-13-8-11-17-31(24)37(34)20-5-2)22-28-25-14-9-12-18-32(25)38(21-6-3)35(28)33/h4-18,22-23H,1-3,19-21H2.
What are the key properties of 5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole?
5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole has a molecular weight of 491.64 g/mol, XLogP of 9.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(prop-2-enyl)-6-(1-prop-2-enylindol-3-yl)indolo[2,3-b]carbazole is sourced from PubChem (CID 12023411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).