9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole

C29H18N2 — CID 101225046

IUPAC9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole
SMILESC(C#Cn1c2ccccc2c2ccccc21)#CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C29H18N2/c1(10-20-30-26-16-6-2-12-22(26)23-13-3-7-17-27(23)30)11-21-31-28-18-8-4-14-24(28)25-15-5-9-19-29(25)31/h2-9,12-19H,20H2
InChIKeyKUHOBVGTYZYZFD-UHFFFAOYSA-N
MW394.48 g/mol
LogP6.41
Rot. Bonds1

About 9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole

9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole (PubChem CID 101225046) has the molecular formula C29H18N2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole.

Molecular Properties

Compound Name9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole
PubChem CID101225046
Molecular FormulaC29H18N2
Molecular Weight394.48 g/mol
Exact Mass394.15
IUPAC Name9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole
SMILESC(C#Cn1c2ccccc2c2ccccc21)#CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C29H18N2/c1(10-20-30-26-16-6-2-12-22(26)23-13-3-7-17-27(23)30)11-21-31-28-18-8-4-14-24(28)25-15-5-9-19-29(25)31/h2-9,12-19H,20H2
InChIKeyKUHOBVGTYZYZFD-UHFFFAOYSA-N
XLogP6.41
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-carbazol-9-ylpenta-2,4-diyn-1-ol
CID 14150034
9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole
CID 22759893
10-but-2-ynylacridin-9-one
CID 14709355
carbazol-9-ylmethylphosphane
CID 90324544
9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate
CID 88785771
9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl N-dodecylcarbamate
CID 88786718
3-methyl-5,11-bis(prop-2-ynyl)indolo[3,2-b]carbazole
CID 155760494
4-(3-carbazol-9-ylprop-1-ynyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10545599
9-carbazol-9-ylnona-5,7-diyn-1-ol;icosan-2-yl carbamate
CID 88786133
1-carbazol-9-yl-N,N-difluoromethanamine
CID 145129490
9-(2,2-difluoroethyl)carbazole
CID 162535518
9-(4-methylpentyl)carbazole
CID 153073309

Frequently Asked Questions

What is the IUPAC name of 9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole?
The IUPAC name of 9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole (CID 101225046) is 9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole.
What is the SMILES notation for 9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole?
The canonical SMILES for 9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole is C(C#Cn1c2ccccc2c2ccccc21)#CCn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole?
The InChIKey is KUHOBVGTYZYZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N2/c1(10-20-30-26-16-6-2-12-22(26)23-13-3-7-17-27(23)30)11-21-31-28-18-8-4-14-24(28)25-15-5-9-19-29(25)31/h2-9,12-19H,20H2.
What are the key properties of 9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole?
9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole has a molecular weight of 394.48 g/mol, XLogP of 6.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole is sourced from PubChem (CID 101225046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).