2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile

C68H38N4O2 — CID 146580324

IUPAC2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)c(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c(C#N)c(-c2ccccc2)c1-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C68H38N4O2/c69-39-55-65(41-15-3-1-4-16-41)67(43-27-31-61-51(35-43)53-37-45(29-33-63(53)73-61)71-57-23-11-7-19-47(57)48-20-8-12-24-58(48)71)56(40-70)66(42-17-5-2-6-18-42)68(55)44-28-32-62-52(36-44)54-38-46(30-34-64(54)74-62)72-59-25-13-9-21-49(59)50-22-10-14-26-60(50)72/h1-38H
InChIKeyIPTKCMHEKUSCAZ-UHFFFAOYSA-N
MW943.08 g/mol
LogP18.09
Rot. Bonds6

About 2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile

2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile (PubChem CID 146580324) has the molecular formula C68H38N4O2 and a molecular weight of 943.08 g/mol. Its IUPAC name is 2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile
PubChem CID146580324
Molecular FormulaC68H38N4O2
Molecular Weight943.08 g/mol
Exact Mass942.30
IUPAC Name2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)c(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c(C#N)c(-c2ccccc2)c1-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C68H38N4O2/c69-39-55-65(41-15-3-1-4-16-41)67(43-27-31-61-51(35-43)53-37-45(29-33-63(53)73-61)71-57-23-11-7-19-47(57)48-20-8-12-24-58(48)71)56(40-70)66(42-17-5-2-6-18-42)68(55)44-28-32-62-52(36-44)54-38-46(30-34-64(54)74-62)72-59-25-13-9-21-49(59)50-22-10-14-26-60(50)72/h1-38H
InChIKeyIPTKCMHEKUSCAZ-UHFFFAOYSA-N
XLogP18.09
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.08
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
CID 122575991
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
2-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]benzonitrile
CID 122552677
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile (CID 146580324) is 2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile is N#Cc1c(-c2ccccc2)c(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c(C#N)c(-c2ccccc2)c1-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile?
The InChIKey is IPTKCMHEKUSCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H38N4O2/c69-39-55-65(41-15-3-1-4-16-41)67(43-27-31-61-51(35-43)53-37-45(29-33-63(53)73-61)71-57-23-11-7-19-47(57)48-20-8-12-24-58(48)71)56(40-70)66(42-17-5-2-6-18-42)68(55)44-28-32-62-52(36-44)54-38-46(30-34-64(54)74-62)72-59-25-13-9-21-49(59)50-22-10-14-26-60(50)72/h1-38H.
What are the key properties of 2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile?
2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile has a molecular weight of 943.08 g/mol, XLogP of 18.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile is sourced from PubChem (CID 146580324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).