6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole

C56H36N2O2 — CID 170680326

IUPAC6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole
SMILESC#CCOc1ccc2c(c1)c1c(-c3ccc4c(c3)Cc3ccccc3-4)c3c(c(-c4ccc5c(c4)Cc4ccccc4-5)c1n2CC#C)c1cc(OCC#C)ccc1n3CC#C
InChIInChI=1S/C56H36N2O2/c1-5-25-57-49-23-19-41(59-27-7-3)33-47(49)53-52(38-18-22-46-40(32-38)30-36-14-10-12-16-44(36)46)56-54(48-34-42(60-28-8-4)20-24-50(48)58(56)26-6-2)51(55(53)57)37-17-21-45-39(31-37)29-35-13-9-11-15-43(35)45/h1-4,9-24,31-34H,25-30H2
InChIKeyZGHLREZFJXKQNI-UHFFFAOYSA-N
MW768.92 g/mol
LogP11.67
Rot. Bonds8

About 6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole

6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole (PubChem CID 170680326) has the molecular formula C56H36N2O2 and a molecular weight of 768.92 g/mol. Its IUPAC name is 6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole
PubChem CID170680326
Molecular FormulaC56H36N2O2
Molecular Weight768.92 g/mol
Exact Mass768.28
IUPAC Name6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole
SMILESC#CCOc1ccc2c(c1)c1c(-c3ccc4c(c3)Cc3ccccc3-4)c3c(c(-c4ccc5c(c4)Cc4ccccc4-5)c1n2CC#C)c1cc(OCC#C)ccc1n3CC#C
InChIInChI=1S/C56H36N2O2/c1-5-25-57-49-23-19-41(59-27-7-3)33-47(49)53-52(38-18-22-46-40(32-38)30-36-14-10-12-16-44(36)46)56-54(48-34-42(60-28-8-4)20-24-50(48)58(56)26-6-2)51(55(53)57)37-17-21-45-39(31-37)29-35-13-9-11-15-43(35)45/h1-4,9-24,31-34H,25-30H2
InChIKeyZGHLREZFJXKQNI-UHFFFAOYSA-N
XLogP11.67
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole?
The IUPAC name of 6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole (CID 170680326) is 6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole.
What is the SMILES notation for 6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole?
The canonical SMILES for 6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole is C#CCOc1ccc2c(c1)c1c(-c3ccc4c(c3)Cc3ccccc3-4)c3c(c(-c4ccc5c(c4)Cc4ccccc4-5)c1n2CC#C)c1cc(OCC#C)ccc1n3CC#C.
What is the InChIKey of 6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole?
The InChIKey is ZGHLREZFJXKQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O2/c1-5-25-57-49-23-19-41(59-27-7-3)33-47(49)53-52(38-18-22-46-40(32-38)30-36-14-10-12-16-44(36)46)56-54(48-34-42(60-28-8-4)20-24-50(48)58(56)26-6-2)51(55(53)57)37-17-21-45-39(31-37)29-35-13-9-11-15-43(35)45/h1-4,9-24,31-34H,25-30H2.
What are the key properties of 6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole?
6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole has a molecular weight of 768.92 g/mol, XLogP of 11.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(9H-fluoren-2-yl)-2,8-bis(prop-2-ynoxy)-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole is sourced from PubChem (CID 170680326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).