9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole

C41H44N2 — CID 70971997

IUPAC9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole
SMILESCc1ccc2c(c1)CCN2C1=CC=C2C(C1)C1=C(C=CCC1)N2C1=CCC(CC(C2=CCCC=C2)C2C=CC=CC2)C=C1
InChIInChI=1S/C41H44N2/c1-29-16-22-39-33(26-29)24-25-42(39)35-21-23-41-38(28-35)36-14-8-9-15-40(36)43(41)34-19-17-30(18-20-34)27-37(31-10-4-2-5-11-31)32-12-6-3-7-13-32/h2,4-6,9-10,12-13,15-17,19-23,26,30-31,37-38H,3,7-8,11,14,18,24-25,27-28H2,1H3
InChIKeyHUIGAPFMYQWPAO-UHFFFAOYSA-N
MW564.82 g/mol
LogP9.94
Rot. Bonds6

About 9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole

9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole (PubChem CID 70971997) has the molecular formula C41H44N2 and a molecular weight of 564.82 g/mol. Its IUPAC name is 9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole
PubChem CID70971997
Molecular FormulaC41H44N2
Molecular Weight564.82 g/mol
Exact Mass564.35
IUPAC Name9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole
SMILESCc1ccc2c(c1)CCN2C1=CC=C2C(C1)C1=C(C=CCC1)N2C1=CCC(CC(C2=CCCC=C2)C2C=CC=CC2)C=C1
InChIInChI=1S/C41H44N2/c1-29-16-22-39-33(26-29)24-25-42(39)35-21-23-41-38(28-35)36-14-8-9-15-40(36)43(41)34-19-17-30(18-20-34)27-37(31-10-4-2-5-11-31)32-12-6-3-7-13-32/h2,4-6,9-10,12-13,15-17,19-23,26,30-31,37-38H,3,7-8,11,14,18,24-25,27-28H2,1H3
InChIKeyHUIGAPFMYQWPAO-UHFFFAOYSA-N
XLogP9.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.82
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole?
The IUPAC name of 9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole (CID 70971997) is 9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole.
What is the SMILES notation for 9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole?
The canonical SMILES for 9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole is Cc1ccc2c(c1)CCN2C1=CC=C2C(C1)C1=C(C=CCC1)N2C1=CCC(CC(C2=CCCC=C2)C2C=CC=CC2)C=C1.
What is the InChIKey of 9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole?
The InChIKey is HUIGAPFMYQWPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44N2/c1-29-16-22-39-33(26-29)24-25-42(39)35-21-23-41-38(28-35)36-14-8-9-15-40(36)43(41)34-19-17-30(18-20-34)27-37(31-10-4-2-5-11-31)32-12-6-3-7-13-32/h2,4-6,9-10,12-13,15-17,19-23,26,30-31,37-38H,3,7-8,11,14,18,24-25,27-28H2,1H3.
What are the key properties of 9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole?
9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole has a molecular weight of 564.82 g/mol, XLogP of 9.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,5-dien-1-yl]-6-(5-methyl-2,3-dihydroindol-1-yl)-3,4,4b,5-tetrahydrocarbazole is sourced from PubChem (CID 70971997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).