9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile

C56H34N4O2 — CID 146522568

IUPAC9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(CCc4cccc5c4oc4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc45)ccnc3c2c1
InChIInChI=1S/C56H34N4O2/c57-33-34-17-23-50-44(29-34)41-12-4-7-16-49(41)60(50)40-22-26-53-47(32-40)54-56(62-53)36(27-28-58-54)19-18-35-9-8-14-43-46-31-38(21-25-52(46)61-55(35)43)37-20-24-51-45(30-37)42-13-5-6-15-48(42)59(51)39-10-2-1-3-11-39/h1-17,20-32H,18-19H2
InChIKeyJYOBFEWKLGLZIH-UHFFFAOYSA-N
MW794.91 g/mol
LogP14.40
Rot. Bonds6

About 9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile

9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile (PubChem CID 146522568) has the molecular formula C56H34N4O2 and a molecular weight of 794.91 g/mol. Its IUPAC name is 9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile
PubChem CID146522568
Molecular FormulaC56H34N4O2
Molecular Weight794.91 g/mol
Exact Mass794.27
IUPAC Name9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(CCc4cccc5c4oc4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc45)ccnc3c2c1
InChIInChI=1S/C56H34N4O2/c57-33-34-17-23-50-44(29-34)41-12-4-7-16-49(41)60(50)40-22-26-53-47(32-40)54-56(62-53)36(27-28-58-54)19-18-35-9-8-14-43-46-31-38(21-25-52(46)61-55(35)43)37-20-24-51-45(30-37)42-13-5-6-15-48(42)59(51)39-10-2-1-3-11-39/h1-17,20-32H,18-19H2
InChIKeyJYOBFEWKLGLZIH-UHFFFAOYSA-N
XLogP14.40
TPSA72.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.91
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile
CID 145345342
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
CID 134343534
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
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690
3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
CID 122575991
9-[3-[3-(20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139575294

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile?
The IUPAC name of 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) is 9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(CCc4cccc5c4oc4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc45)ccnc3c2c1.
What is the InChIKey of 9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile?
The InChIKey is JYOBFEWKLGLZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O2/c57-33-34-17-23-50-44(29-34)41-12-4-7-16-49(41)60(50)40-22-26-53-47(32-40)54-56(62-53)36(27-28-58-54)19-18-35-9-8-14-43-46-31-38(21-25-52(46)61-55(35)43)37-20-24-51-45(30-37)42-13-5-6-15-48(42)59(51)39-10-2-1-3-11-39/h1-17,20-32H,18-19H2.
What are the key properties of 9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile?
9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile has a molecular weight of 794.91 g/mol, XLogP of 14.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]ethyl]-[1]benzofuro[3,2-b]pyridin-8-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 146522568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).