11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole

C43H44N2 — CID 134390444

IUPAC11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole
SMILESCC1(N2c3ccccc3C3C=CC4c5ccccc5N(C5C=CC(C6C=CC=CC6)=CC5)C4C32)C=CC=C(C2=CCCCC2)C1
InChIInChI=1S/C43H44N2/c1-43(28-12-17-33(29-43)31-15-6-3-7-16-31)45-40-21-11-9-19-36(40)38-27-26-37-35-18-8-10-20-39(35)44(41(37)42(38)45)34-24-22-32(23-25-34)30-13-4-2-5-14-30/h2,4-5,8-13,15,17-24,26-28,30,34,37-38,41-42H,3,6-7,14,16,25,29H2,1H3
InChIKeyYFYDMXNTTDHGJQ-UHFFFAOYSA-N
MW588.84 g/mol
LogP10.03
Rot. Bonds4

About 11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole

11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole (PubChem CID 134390444) has the molecular formula C43H44N2 and a molecular weight of 588.84 g/mol. Its IUPAC name is 11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole
PubChem CID134390444
Molecular FormulaC43H44N2
Molecular Weight588.84 g/mol
Exact Mass588.35
IUPAC Name11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole
SMILESCC1(N2c3ccccc3C3C=CC4c5ccccc5N(C5C=CC(C6C=CC=CC6)=CC5)C4C32)C=CC=C(C2=CCCCC2)C1
InChIInChI=1S/C43H44N2/c1-43(28-12-17-33(29-43)31-15-6-3-7-16-31)45-40-21-11-9-19-36(40)38-27-26-37-35-18-8-10-20-39(35)44(41(37)42(38)45)34-24-22-32(23-25-34)30-13-4-2-5-14-30/h2,4-5,8-13,15,17-24,26-28,30,34,37-38,41-42H,3,6-7,14,16,25,29H2,1H3
InChIKeyYFYDMXNTTDHGJQ-UHFFFAOYSA-N
XLogP10.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.84
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole?
The IUPAC name of 11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole (CID 134390444) is 11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole.
What is the SMILES notation for 11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole?
The canonical SMILES for 11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole is CC1(N2c3ccccc3C3C=CC4c5ccccc5N(C5C=CC(C6C=CC=CC6)=CC5)C4C32)C=CC=C(C2=CCCCC2)C1.
What is the InChIKey of 11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole?
The InChIKey is YFYDMXNTTDHGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44N2/c1-43(28-12-17-33(29-43)31-15-6-3-7-16-31)45-40-21-11-9-19-36(40)38-27-26-37-35-18-8-10-20-39(35)44(41(37)42(38)45)34-24-22-32(23-25-34)30-13-4-2-5-14-30/h2,4-5,8-13,15,17-24,26-28,30,34,37-38,41-42H,3,6-7,14,16,25,29H2,1H3.
What are the key properties of 11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole?
11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole has a molecular weight of 588.84 g/mol, XLogP of 10.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-12-[5-(cyclohexen-1-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4b,6a,11a,11b-tetrahydroindolo[2,3-a]carbazole is sourced from PubChem (CID 134390444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).