8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium

C59H34N3O3+ — CID 59196795

IUPAC8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4ccc5oc6ccc(-[n+]7ccc8oc9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c8c7)cc6c5c4)cc3c2c1
InChIInChI=1S/C59H34N3O3/c1-5-13-50-40(9-1)41-10-2-6-14-51(41)61(50)38-20-25-57-47(32-38)45-30-36(18-23-55(45)64-57)35-17-22-54-44(29-35)46-31-37(19-24-56(46)63-54)60-28-27-59-49(34-60)48-33-39(21-26-58(48)65-59)62-52-15-7-3-11-42(52)43-12-4-8-16-53(43)62/h1-34H/q+1
InChIKeyBVZZQTJQABKBQK-UHFFFAOYSA-N
MW832.94 g/mol
LogP15.52
Rot. Bonds4

About 8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium

8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium (PubChem CID 59196795) has the molecular formula C59H34N3O3+ and a molecular weight of 832.94 g/mol. Its IUPAC name is 8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium.

Molecular Properties

Compound Name8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium
PubChem CID59196795
Molecular FormulaC59H34N3O3+
Molecular Weight832.94 g/mol
Exact Mass832.26
IUPAC Name8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4ccc5oc6ccc(-[n+]7ccc8oc9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c8c7)cc6c5c4)cc3c2c1
InChIInChI=1S/C59H34N3O3/c1-5-13-50-40(9-1)41-10-2-6-14-51(41)61(50)38-20-25-57-47(32-38)45-30-36(18-23-55(45)64-57)35-17-22-54-44(29-35)46-31-37(19-24-56(46)63-54)60-28-27-59-49(34-60)48-33-39(21-26-58(48)65-59)62-52-15-7-3-11-42(52)43-12-4-8-16-53(43)62/h1-34H/q+1
InChIKeyBVZZQTJQABKBQK-UHFFFAOYSA-N
XLogP15.52
TPSA53.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.94
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(1-Benzofuran-2-yl)-1-benzylindole
CID 135058833
Benzofuroquinoline
CID 57972387
2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
3-((5-(4-(Tertbutyl)pyridin-2-yl)-5h-benzofuro[3,2-c]carbazol-3-yl)oxy) aniline
CID 176783564
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenylcarbazole-2,7-diamine
CID 23593191
2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
CID 23593276
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
CID 66585175
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 68230409
[1-Butyl-5-(4-fluorophenoxy)indol-3-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 85470273
3,6-Di(carbazol-9-yl)-9-(8-fluorodibenzofuran-2-yl)carbazole
CID 89505208

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium?
The IUPAC name of 8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium (CID 59196795) is 8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium.
What is the SMILES notation for 8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium?
The canonical SMILES for 8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium is c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4ccc5oc6ccc(-[n+]7ccc8oc9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c8c7)cc6c5c4)cc3c2c1.
What is the InChIKey of 8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium?
The InChIKey is BVZZQTJQABKBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N3O3/c1-5-13-50-40(9-1)41-10-2-6-14-51(41)61(50)38-20-25-57-47(32-38)45-30-36(18-23-55(45)64-57)35-17-22-54-44(29-35)46-31-37(19-24-56(46)63-54)60-28-27-59-49(34-60)48-33-39(21-26-58(48)65-59)62-52-15-7-3-11-42(52)43-12-4-8-16-53(43)62/h1-34H/q+1.
What are the key properties of 8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium?
8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium has a molecular weight of 832.94 g/mol, XLogP of 15.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbazol-9-yl-2-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]pyridin-2-ium is sourced from PubChem (CID 59196795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).