3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile

C55H31N3O2 — CID 139340065

IUPAC3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1
InChIInChI=1S/C55H31N3O2/c56-32-33-26-35(34-12-2-1-3-13-34)28-36(27-33)37-29-38(57-46-18-8-4-16-44(46)52-48(57)24-22-42-40-14-6-10-20-50(40)59-54(42)52)31-39(30-37)58-47-19-9-5-17-45(47)53-49(58)25-23-43-41-15-7-11-21-51(41)60-55(43)53/h1-31H
InChIKeyWNFIGFCDGINMBM-UHFFFAOYSA-N
MW765.87 g/mol
LogP14.89
Rot. Bonds4

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

3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile (PubChem CID 139340065) has the molecular formula C55H31N3O2 and a molecular weight of 765.87 g/mol. Its IUPAC name is 3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile.

Molecular Properties

Compound Name3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile
PubChem CID139340065
Molecular FormulaC55H31N3O2
Molecular Weight765.87 g/mol
Exact Mass765.24
IUPAC Name3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1
InChIInChI=1S/C55H31N3O2/c56-32-33-26-35(34-12-2-1-3-13-34)28-36(27-33)37-29-38(57-46-18-8-4-16-44(46)52-48(57)24-22-42-40-14-6-10-20-50(40)59-54(42)52)31-39(30-37)58-47-19-9-5-17-45(47)53-49(58)25-23-43-41-15-7-11-21-51(41)60-55(43)53/h1-31H
InChIKeyWNFIGFCDGINMBM-UHFFFAOYSA-N
XLogP14.89
TPSA59.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.87
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 129291151
9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 139339852
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(4-phenylcarbazol-9-yl)benzonitrile
CID 129291106
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-(2-fluoro-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 129291264
2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile
CID 139339960
4-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-dibenzothiophen-3-ylphenyl]phenyl]benzonitrile
CID 139339907
5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543091
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340059
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
4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 144644730
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

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile?
The IUPAC name of 3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile (CID 139340065) is 3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile.
What is the SMILES notation for 3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile?
The canonical SMILES for 3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile is N#Cc1cc(-c2ccccc2)cc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1.
What is the InChIKey of 3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile?
The InChIKey is WNFIGFCDGINMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N3O2/c56-32-33-26-35(34-12-2-1-3-13-34)28-36(27-33)37-29-38(57-46-18-8-4-16-44(46)52-48(57)24-22-42-40-14-6-10-20-50(40)59-54(42)52)31-39(30-37)58-47-19-9-5-17-45(47)53-49(58)25-23-43-41-15-7-11-21-51(41)60-55(43)53/h1-31H.
What are the key properties of 3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile?
3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile has a molecular weight of 765.87 g/mol, XLogP of 14.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile is sourced from PubChem (CID 139340065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).