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

C25H23N3 — CID 11417231

IUPAC1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole
SMILESCCn1c2ccccc2c2c(C3=NCCC4c5ccccc5NC34)cccc21
InChIInChI=1S/C25H23N3/c1-2-28-21-12-6-4-9-18(21)23-19(10-7-13-22(23)28)24-25-17(14-15-26-24)16-8-3-5-11-20(16)27-25/h3-13,17,25,27H,2,14-15H2,1H3
InChIKeyHNIWAMUVFANUMP-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.59
Rot. Bonds2

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

1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole (PubChem CID 11417231) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole
PubChem CID11417231
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC Name1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole
SMILESCCn1c2ccccc2c2c(C3=NCCC4c5ccccc5NC34)cccc21
InChIInChI=1S/C25H23N3/c1-2-28-21-12-6-4-9-18(21)23-19(10-7-13-22(23)28)24-25-17(14-15-26-24)16-8-3-5-11-20(16)27-25/h3-13,17,25,27H,2,14-15H2,1H3
InChIKeyHNIWAMUVFANUMP-UHFFFAOYSA-N
XLogP5.59
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

(3R)-6-ethyl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol
CID 125470704
9-ethyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 88924321
4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole
CID 155333735
N,N-diethyl-4-(9-ethylcarbazol-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 17237073
3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene
CID 162241948
3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275887
9-ethyl-4-[8-(9-ethylcarbazol-4-yl)-10-pyren-4-ylanthracen-1-yl]carbazole
CID 155334836
9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122463997
4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17237179
20-(2-bromophenyl)-9-ethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(13),2(10),3,5,7,11,15(19)-heptaen-18-one
CID 139237577
3-(8-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-9-ethylcarbazole
CID 17237032
9-ethyl-3-pyrrolidin-3-ylcarbazole
CID 117415894

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole?
The IUPAC name of 1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole (CID 11417231) is 1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole is CCn1c2ccccc2c2c(C3=NCCC4c5ccccc5NC34)cccc21.
What is the InChIKey of 1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole?
The InChIKey is HNIWAMUVFANUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3/c1-2-28-21-12-6-4-9-18(21)23-19(10-7-13-22(23)28)24-25-17(14-15-26-24)16-8-3-5-11-20(16)27-25/h3-13,17,25,27H,2,14-15H2,1H3.
What are the key properties of 1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole?
1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole has a molecular weight of 365.48 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethylcarbazol-4-yl)-4,4a,9,9a-tetrahydro-3H-pyrido[3,4-b]indole is sourced from PubChem (CID 11417231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).