3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole

C25H18N2 — CID 155760494

IUPAC3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole
SMILESC#CCn1c2ccccc2c2cc3c(cc21)c1ccc(C)cc1n3CC#C
InChIInChI=1S/C25H18N2/c1-4-12-26-22-9-7-6-8-18(22)20-15-25-21(16-24(20)26)19-11-10-17(3)14-23(19)27(25)13-5-2/h1-2,6-11,14-16H,12-13H2,3H3
InChIKeyXDGNFNUPZFTXCC-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.48
Rot. Bonds2

About 3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole

3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole (PubChem CID 155760494) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole
PubChem CID155760494
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole
SMILESC#CCn1c2ccccc2c2cc3c(cc21)c1ccc(C)cc1n3CC#C
InChIInChI=1S/C25H18N2/c1-4-12-26-22-9-7-6-8-18(22)20-15-25-21(16-24(20)26)19-11-10-17(3)14-23(19)27(25)13-5-2/h1-2,6-11,14-16H,12-13H2,3H3
InChIKeyXDGNFNUPZFTXCC-UHFFFAOYSA-N
XLogP5.48
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-2-methylcarbazole
CID 19788789
1,7-dimethyl-9-prop-2-ynylpyrido[3,4-b]indole
CID 158761716
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
9-[(2,5-dimethylphenyl)methyl]carbazole
CID 174908792
2,7-dimethyl-9-(2-methylpropyl)carbazole
CID 130182520
2-methyl-9-phenylcarbazole
CID 59552741
2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole
CID 155470797
3-methyl-9-oxidocarbazole
CID 166517305
9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole
CID 58771348
9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole
CID 12711910
9-butyl-2,7-dimethylcarbazole
CID 129212268
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole?
The IUPAC name of 3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole (CID 155760494) is 3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole.
What is the SMILES notation for 3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole?
The canonical SMILES for 3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole is C#CCn1c2ccccc2c2cc3c(cc21)c1ccc(C)cc1n3CC#C.
What is the InChIKey of 3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole?
The InChIKey is XDGNFNUPZFTXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c1-4-12-26-22-9-7-6-8-18(22)20-15-25-21(16-24(20)26)19-11-10-17(3)14-23(19)27(25)13-5-2/h1-2,6-11,14-16H,12-13H2,3H3.
What are the key properties of 3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole?
3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole has a molecular weight of 346.43 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole is sourced from PubChem (CID 155760494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).