3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile

C49H27N3O2 — CID 129291151

IUPAC3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C49H27N3O2/c50-28-29-25-31(27-33(26-29)52-41-14-6-2-12-39(41)47-43(52)24-22-37-35-10-4-8-16-45(35)54-49(37)47)30-17-19-32(20-18-30)51-40-13-5-1-11-38(40)46-42(51)23-21-36-34-9-3-7-15-44(34)53-48(36)46/h1-27H
InChIKeyXPGKQGYPHJJATP-UHFFFAOYSA-N
MW689.77 g/mol
LogP13.22
Rot. Bonds3

About 3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile

3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile (PubChem CID 129291151) has the molecular formula C49H27N3O2 and a molecular weight of 689.77 g/mol. Its IUPAC name is 3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
PubChem CID129291151
Molecular FormulaC49H27N3O2
Molecular Weight689.77 g/mol
Exact Mass689.21
IUPAC Name3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C49H27N3O2/c50-28-29-25-31(27-33(26-29)52-41-14-6-2-12-39(41)47-43(52)24-22-37-35-10-4-8-16-45(35)54-49(37)47)30-17-19-32(20-18-30)51-40-13-5-1-11-38(40)46-42(51)23-21-36-34-9-3-7-15-44(34)53-48(36)46/h1-27H
InChIKeyXPGKQGYPHJJATP-UHFFFAOYSA-N
XLogP13.22
TPSA59.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.77
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile
CID 139340065
3-(4-carbazol-9-ylphenyl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
CID 129290907
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
5-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-cyanophenyl]-[1]benzofuro[3,2-c]carbazole-9-carbonitrile
CID 129291257
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(4-phenylcarbazol-9-yl)benzonitrile
CID 129291106
4-[4-(15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaen-24-yl)phenyl]benzonitrile
CID 126679075
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(2-fluoro-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 129291264
9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 139339852
2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile
CID 139339960
3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]benzonitrile
CID 157319826
3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-(4-carbazol-9-ylphenyl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
CID 165076473
3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
CID 160752730

Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile?
The IUPAC name of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile (CID 129291151) is 3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile?
The canonical SMILES for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile is N#Cc1cc(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.
What is the InChIKey of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile?
The InChIKey is XPGKQGYPHJJATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N3O2/c50-28-29-25-31(27-33(26-29)52-41-14-6-2-12-39(41)47-43(52)24-22-37-35-10-4-8-16-45(35)54-49(37)47)30-17-19-32(20-18-30)51-40-13-5-1-11-38(40)46-42(51)23-21-36-34-9-3-7-15-44(34)53-48(36)46/h1-27H.
What are the key properties of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile?
3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile has a molecular weight of 689.77 g/mol, XLogP of 13.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile is sourced from PubChem (CID 129291151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).