3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile

C64H36N4O2 — CID 121307218

IUPAC3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile
SMILES[H]/N=C/c1c(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4ccccc4ccc32)cc(C#N)cc1-n1c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2c2c3ccccc3ccc21
InChIInChI=1S/C64H36N4O2/c65-35-37-29-57(67-53-25-21-40(31-50(53)63-44-11-3-1-9-38(44)19-27-55(63)67)42-17-23-48-46-13-5-7-15-59(46)69-61(48)33-42)52(36-66)58(30-37)68-54-26-22-41(32-51(54)64-45-12-4-2-10-39(45)20-28-56(64)68)43-18-24-49-47-14-6-8-16-60(47)70-62(49)34-43/h1-34,36,66H/b66-36+
InChIKeyVBDHVNMRCMLFHA-XXBTWGTGSA-N
MW893.02 g/mol
LogP17.19
Rot. Bonds5

About 3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile

3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile (PubChem CID 121307218) has the molecular formula C64H36N4O2 and a molecular weight of 893.02 g/mol. Its IUPAC name is 3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile.

Molecular Properties

Compound Name3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile
PubChem CID121307218
Molecular FormulaC64H36N4O2
Molecular Weight893.02 g/mol
Exact Mass892.28
IUPAC Name3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile
SMILES[H]/N=C/c1c(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4ccccc4ccc32)cc(C#N)cc1-n1c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2c2c3ccccc3ccc21
InChIInChI=1S/C64H36N4O2/c65-35-37-29-57(67-53-25-21-40(31-50(53)63-44-11-3-1-9-38(44)19-27-55(63)67)42-17-23-48-46-13-5-7-15-59(46)69-61(48)33-42)52(36-66)58(30-37)68-54-26-22-41(32-51(54)64-45-12-4-2-10-39(45)20-28-56(64)68)43-18-24-49-47-14-6-8-16-60(47)70-62(49)34-43/h1-34,36,66H/b66-36+
InChIKeyVBDHVNMRCMLFHA-XXBTWGTGSA-N
XLogP17.19
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.02
LogP ≤ 517.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121307193
2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
CID 153462513
3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile
CID 121307202
3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324543
2-[4-[(1Z)-buta-1,3-dienyl]-3-methylcarbazol-9-yl]-5-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 155450108
2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328536
2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile
CID 158388291
5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile
CID 163457193
4,6-di(carbazol-9-yl)-5-dibenzofuran-2-yl-2-(22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-12-yl)benzene-1,3-dicarbonitrile
CID 146562135
6-([1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-yl-2-methanimidoylbenzonitrile
CID 121307110
2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 155450671
2,5-bis(9-oxa-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-24-yl)benzene-1,4-dicarbonitrile
CID 121329229

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile?
The IUPAC name of 3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile (CID 121307218) is 3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile.
What is the SMILES notation for 3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile?
The canonical SMILES for 3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile is [H]/N=C/c1c(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4ccccc4ccc32)cc(C#N)cc1-n1c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2c2c3ccccc3ccc21.
What is the InChIKey of 3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile?
The InChIKey is VBDHVNMRCMLFHA-XXBTWGTGSA-N. The full InChI is InChI=1S/C64H36N4O2/c65-35-37-29-57(67-53-25-21-40(31-50(53)63-44-11-3-1-9-38(44)19-27-55(63)67)42-17-23-48-46-13-5-7-15-59(46)69-61(48)33-42)52(36-66)58(30-37)68-54-26-22-41(32-51(54)64-45-12-4-2-10-39(45)20-28-56(64)68)43-18-24-49-47-14-6-8-16-60(47)70-62(49)34-43/h1-34,36,66H/b66-36+.
What are the key properties of 3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile?
3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile has a molecular weight of 893.02 g/mol, XLogP of 17.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile is sourced from PubChem (CID 121307218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).