11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile

C38H22N4 — CID 140920414

IUPAC11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)-c1ccccc1-c1cc(-n3c4ccccc4n4c5ccccc5nc34)ccc1-c1ccccc1-2
InChIInChI=1S/C38H22N4/c39-23-24-17-19-30-26-9-1-2-10-27(26)31-20-18-25(22-33(31)29-12-4-3-11-28(29)32(30)21-24)41-36-15-7-8-16-37(36)42-35-14-6-5-13-34(35)40-38(41)42/h1-22H/b30-26-,31-27-,32-28-,33-29-
InChIKeyXOHNGQJLMHGZCV-LDYBNENLSA-N
MW534.62 g/mol
LogP9.28
Rot. Bonds1

About 11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile

11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile (PubChem CID 140920414) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile.

Molecular Properties

Compound Name11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile
PubChem CID140920414
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)-c1ccccc1-c1cc(-n3c4ccccc4n4c5ccccc5nc34)ccc1-c1ccccc1-2
InChIInChI=1S/C38H22N4/c39-23-24-17-19-30-26-9-1-2-10-27(26)31-20-18-25(22-33(31)29-12-4-3-11-28(29)32(30)21-24)41-36-15-7-8-16-37(36)42-35-14-6-5-13-34(35)40-38(41)42/h1-22H/b30-26-,31-27-,32-28-,33-29-
InChIKeyXOHNGQJLMHGZCV-LDYBNENLSA-N
XLogP9.28
TPSA46.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenyl-3-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7(12),8,10,13,15,17,20,22-undecaene-21-carbonitrile
CID 140932134
3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)benzonitrile
CID 122546141
17-(3-cyanophenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene-4-carbonitrile
CID 122546268
17-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene-4-carbonitrile;4-(4-cyano-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaen-17-yl)benzene-1,2-dicarbonitrile;17-(3-cyanophenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene-4-carbonitrile
CID 158905812
17-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene-4-carbonitrile
CID 122546214
17-dibenzofuran-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene-4-carbonitrile
CID 122546212
9-[8-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 122546258
10-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene
CID 140920342
3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-5-isocyanobenzonitrile
CID 140854423
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile
CID 122592030
2,6-bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]benzonitrile;ethane
CID 145162378
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole
CID 134409735

Frequently Asked Questions

What is the IUPAC name of 11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile?
The IUPAC name of 11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile (CID 140920414) is 11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile.
What is the SMILES notation for 11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile?
The canonical SMILES for 11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile is N#Cc1ccc2c(c1)-c1ccccc1-c1cc(-n3c4ccccc4n4c5ccccc5nc34)ccc1-c1ccccc1-2.
What is the InChIKey of 11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile?
The InChIKey is XOHNGQJLMHGZCV-LDYBNENLSA-N. The full InChI is InChI=1S/C38H22N4/c39-23-24-17-19-30-26-9-1-2-10-27(26)31-20-18-25(22-33(31)29-12-4-3-11-28(29)32(30)21-24)41-36-15-7-8-16-37(36)42-35-14-6-5-13-34(35)40-38(41)42/h1-22H/b30-26-,31-27-,32-28-,33-29-.
What are the key properties of 11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile?
11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile has a molecular weight of 534.62 g/mol, XLogP of 9.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile is sourced from PubChem (CID 140920414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).