1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole

C25H21N3 — CID 11291454

IUPAC1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole
SMILESCCn1c2ccccc2c2cc(C3=NCCc4c3[nH]c3ccccc43)ccc21
InChIInChI=1S/C25H21N3/c1-2-28-22-10-6-4-8-18(22)20-15-16(11-12-23(20)28)24-25-19(13-14-26-24)17-7-3-5-9-21(17)27-25/h3-12,15,27H,2,13-14H2,1H3
InChIKeyJYTKRQCCYOUXDY-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.69
Rot. Bonds2

About 1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole

1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole (PubChem CID 11291454) has the molecular formula C25H21N3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole
PubChem CID11291454
Molecular FormulaC25H21N3
Molecular Weight363.46 g/mol
Exact Mass363.17
IUPAC Name1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole
SMILESCCn1c2ccccc2c2cc(C3=NCCc4c3[nH]c3ccccc43)ccc21
InChIInChI=1S/C25H21N3/c1-2-28-22-10-6-4-8-18(22)20-15-16(11-12-23(20)28)24-25-19(13-14-26-24)17-7-3-5-9-21(17)27-25/h3-12,15,27H,2,13-14H2,1H3
InChIKeyJYTKRQCCYOUXDY-UHFFFAOYSA-N
XLogP5.69
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole?
The IUPAC name of 1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole (CID 11291454) is 1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole is CCn1c2ccccc2c2cc(C3=NCCc4c3[nH]c3ccccc43)ccc21.
What is the InChIKey of 1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole?
The InChIKey is JYTKRQCCYOUXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3/c1-2-28-22-10-6-4-8-18(22)20-15-16(11-12-23(20)28)24-25-19(13-14-26-24)17-7-3-5-9-21(17)27-25/h3-12,15,27H,2,13-14H2,1H3.
What are the key properties of 1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole?
1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole has a molecular weight of 363.46 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethylcarbazol-3-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole is sourced from PubChem (CID 11291454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).