9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile

C59H36N4O2 — CID 145345342

IUPAC9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3c(CCCc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)cc4)cccc3c2c1
InChIInChI=1S/C59H36N4O2/c60-34-37-20-26-52-47(30-37)48-31-38(35-61)21-27-53(48)62(52)42-25-29-57-50(33-42)46-13-6-10-40(58(46)64-57)9-5-8-36-18-22-39(23-19-36)41-24-28-54-49(32-41)43-11-1-3-15-51(43)63(54)55-16-7-14-45-44-12-2-4-17-56(44)65-59(45)55/h1-4,6-7,10-33H,5,8-9H2
InChIKeyIJVTZZKYVJUEGN-UHFFFAOYSA-N
MW832.96 g/mol
LogP15.27
Rot. Bonds7

About 9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile

9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile (PubChem CID 145345342) has the molecular formula C59H36N4O2 and a molecular weight of 832.96 g/mol. Its IUPAC name is 9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile
PubChem CID145345342
Molecular FormulaC59H36N4O2
Molecular Weight832.96 g/mol
Exact Mass832.28
IUPAC Name9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3c(CCCc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)cc4)cccc3c2c1
InChIInChI=1S/C59H36N4O2/c60-34-37-20-26-52-47(30-37)48-31-38(35-61)21-27-53(48)62(52)42-25-29-57-50(33-42)46-13-6-10-40(58(46)64-57)9-5-8-36-18-22-39(23-19-36)41-24-28-54-49(32-41)43-11-1-3-15-51(43)63(54)55-16-7-14-45-44-12-2-4-17-56(44)65-59(45)55/h1-4,6-7,10-33H,5,8-9H2
InChIKeyIJVTZZKYVJUEGN-UHFFFAOYSA-N
XLogP15.27
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.96
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
CID 134343534
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile
CID 146522568
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501143
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
CID 126754672
9-(6-cyanodibenzofuran-2-yl)carbazole-3-carbonitrile
CID 122501059
9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501116
6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile
CID 134343651

Frequently Asked Questions

What is the IUPAC name of 9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile (CID 145345342) is 9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3c(CCCc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)cc4)cccc3c2c1.
What is the InChIKey of 9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile?
The InChIKey is IJVTZZKYVJUEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O2/c60-34-37-20-26-52-47(30-37)48-31-38(35-61)21-27-53(48)62(52)42-25-29-57-50(33-42)46-13-6-10-40(58(46)64-57)9-5-8-36-18-22-39(23-19-36)41-24-28-54-49(32-41)43-11-1-3-15-51(43)63(54)55-16-7-14-45-44-12-2-4-17-56(44)65-59(45)55/h1-4,6-7,10-33H,5,8-9H2.
What are the key properties of 9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile?
9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile has a molecular weight of 832.96 g/mol, XLogP of 15.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 145345342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).