9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole

C64H48N4 — CID 22759893

IUPAC9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole
SMILESC(C#CCCCn1c2ccccc2c2ccccc21)#CCCCn1c2ccccc2c2ccccc21.C(C#CCn1c2ccccc2c2ccccc21)#CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H28N2.C30H20N2/c1(3-5-15-25-35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)2-4-6-16-26-36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;1(11-21-31-27-17-7-3-13-23(27)24-14-4-8-18-28(24)31)2-12-22-32-29-19-9-5-15-25(29)26-16-6-10-20-30(26)32/h7-14,17-24H,5-6,15-16,25-26H2;3-10,13-20H,21-22H2
InChIKeyFVIVEIRARNGGMF-UHFFFAOYSA-N
MW873.12 g/mol
LogP14.78
Rot. Bonds8

About 9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole

9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole (PubChem CID 22759893) has the molecular formula C64H48N4 and a molecular weight of 873.12 g/mol. Its IUPAC name is 9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole.

Molecular Properties

Compound Name9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole
PubChem CID22759893
Molecular FormulaC64H48N4
Molecular Weight873.12 g/mol
Exact Mass872.39
IUPAC Name9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole
SMILESC(C#CCCCn1c2ccccc2c2ccccc21)#CCCCn1c2ccccc2c2ccccc21.C(C#CCn1c2ccccc2c2ccccc21)#CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H28N2.C30H20N2/c1(3-5-15-25-35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)2-4-6-16-26-36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;1(11-21-31-27-17-7-3-13-23(27)24-14-4-8-18-28(24)31)2-12-22-32-29-19-9-5-15-25(29)26-16-6-10-20-30(26)32/h7-14,17-24H,5-6,15-16,25-26H2;3-10,13-20H,21-22H2
InChIKeyFVIVEIRARNGGMF-UHFFFAOYSA-N
XLogP14.78
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.12
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole
CID 101225046
9-(3-chloropropyl)carbazole
CID 14737436
9-(4-methylpentyl)carbazole
CID 153073309
9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate
CID 88785771
9-(6-chlorohexyl)carbazole
CID 63465812
9-hexadecylcarbazole
CID 4166588
9-(6-iodohexyl)carbazole
CID 15110912
9-docosylcarbazole
CID 10528568
9-(4-pyrrol-1-ylbutyl)carbazole
CID 14745805
9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl N-dodecylcarbamate
CID 88786718
9-carbazol-9-ylnona-5,7-diyn-1-ol;icosan-2-yl carbamate
CID 88786133
benzene;9-octylcarbazole
CID 175067369

Frequently Asked Questions

What is the IUPAC name of 9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole?
The IUPAC name of 9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole (CID 22759893) is 9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole.
What is the SMILES notation for 9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole?
The canonical SMILES for 9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole is C(C#CCCCn1c2ccccc2c2ccccc21)#CCCCn1c2ccccc2c2ccccc21.C(C#CCn1c2ccccc2c2ccccc21)#CCn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole?
The InChIKey is FVIVEIRARNGGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2.C30H20N2/c1(3-5-15-25-35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)2-4-6-16-26-36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;1(11-21-31-27-17-7-3-13-23(27)24-14-4-8-18-28(24)31)2-12-22-32-29-19-9-5-15-25(29)26-16-6-10-20-30(26)32/h7-14,17-24H,5-6,15-16,25-26H2;3-10,13-20H,21-22H2.
What are the key properties of 9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole?
9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole has a molecular weight of 873.12 g/mol, XLogP of 14.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole is sourced from PubChem (CID 22759893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).