2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole

C44H34N2 — CID 170373330

IUPAC2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole
SMILESC1=CCC(C2=CC=C(C3=CC=C(C4=Nc5cc6cc7c(cc6cc5C4)N=C(C4=CC=C(C5=CC=C(C6=CC=CC6)C5)C4)C7)C3)C2)=C1
InChIInChI=1S/C44H34N2/c1-2-6-27(5-1)29-9-11-31(17-29)33-13-15-35(19-33)41-25-39-21-37-24-44-40(22-38(37)23-43(39)45-41)26-42(46-44)36-16-14-34(20-36)32-12-10-30(18-32)28-7-3-4-8-28/h1-5,7,9-16,21-24H,6,8,17-20,25-26H2
InChIKeyRMIKDCSTTFUXNB-UHFFFAOYSA-N
MW590.77 g/mol
LogP10.90
Rot. Bonds6

About 2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole

2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole (PubChem CID 170373330) has the molecular formula C44H34N2 and a molecular weight of 590.77 g/mol. Its IUPAC name is 2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole.

Molecular Properties

Compound Name2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole
PubChem CID170373330
Molecular FormulaC44H34N2
Molecular Weight590.77 g/mol
Exact Mass590.27
IUPAC Name2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole
SMILESC1=CCC(C2=CC=C(C3=CC=C(C4=Nc5cc6cc7c(cc6cc5C4)N=C(C4=CC=C(C5=CC=C(C6=CC=CC6)C5)C4)C7)C3)C2)=C1
InChIInChI=1S/C44H34N2/c1-2-6-27(5-1)29-9-11-31(17-29)33-13-15-35(19-33)41-25-39-21-37-24-44-40(22-38(37)23-43(39)45-41)26-42(46-44)36-16-14-34(20-36)32-12-10-30(18-32)28-7-3-4-8-28/h1-5,7,9-16,21-24H,6,8,17-20,25-26H2
InChIKeyRMIKDCSTTFUXNB-UHFFFAOYSA-N
XLogP10.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole?
The IUPAC name of 2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole (CID 170373330) is 2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole.
What is the SMILES notation for 2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole?
The canonical SMILES for 2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole is C1=CCC(C2=CC=C(C3=CC=C(C4=Nc5cc6cc7c(cc6cc5C4)N=C(C4=CC=C(C5=CC=C(C6=CC=CC6)C5)C4)C7)C3)C2)=C1.
What is the InChIKey of 2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole?
The InChIKey is RMIKDCSTTFUXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2/c1-2-6-27(5-1)29-9-11-31(17-29)33-13-15-35(19-33)41-25-39-21-37-24-44-40(22-38(37)23-43(39)45-41)26-42(46-44)36-16-14-34(20-36)32-12-10-30(18-32)28-7-3-4-8-28/h1-5,7,9-16,21-24H,6,8,17-20,25-26H2.
What are the key properties of 2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole?
2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole has a molecular weight of 590.77 g/mol, XLogP of 10.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole is sourced from PubChem (CID 170373330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).