9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile

C40H25N5 — CID 140823064

IUPAC9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1ccc2c(c1)c1c3c(ccc1n2-c1cccc(-n2c4ccccc4c4cc(C#N)ccc42)n1)C(C)(C)c1ccccc1-3
InChIInChI=1S/C40H25N5/c1-40(2)30-11-6-4-10-27(30)38-31(40)17-20-35-39(38)29-22-25(42-3)16-19-34(29)45(35)37-14-8-13-36(43-37)44-32-12-7-5-9-26(32)28-21-24(23-41)15-18-33(28)44/h4-22H,1-2H3
InChIKeyDVOAMWWSKFCNMM-UHFFFAOYSA-N
MW575.68 g/mol
LogP10.00
Rot. Bonds2

About 9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile

9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile (PubChem CID 140823064) has the molecular formula C40H25N5 and a molecular weight of 575.68 g/mol. Its IUPAC name is 9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
PubChem CID140823064
Molecular FormulaC40H25N5
Molecular Weight575.68 g/mol
Exact Mass575.21
IUPAC Name9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1ccc2c(c1)c1c3c(ccc1n2-c1cccc(-n2c4ccccc4c4cc(C#N)ccc42)n1)C(C)(C)c1ccccc1-3
InChIInChI=1S/C40H25N5/c1-40(2)30-11-6-4-10-27(30)38-31(40)17-20-35-39(38)29-22-25(42-3)16-19-34(29)45(35)37-14-8-13-36(43-37)44-32-12-7-5-9-26(32)28-21-24(23-41)15-18-33(28)44/h4-22H,1-2H3
InChIKeyDVOAMWWSKFCNMM-UHFFFAOYSA-N
XLogP10.00
TPSA50.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.68
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 158309650
9-[3-(2-isocyano-12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]carbazole-3-carbonitrile
CID 140822973
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
9-[6-(2-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 140822672
9-[2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)-3-isocyanophenyl]carbazole-3-carbonitrile
CID 153462903
3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(1,3-dioxoisoindol-2-yl)benzonitrile
CID 163528682
3-[4-[5-cyano-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile
CID 138630426
9-[2-(2-carbazol-9-ylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159259962
9-[4-cyano-2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167401161
3,4,5-tri(carbazol-9-yl)-6-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzene-1,2-dicarbonitrile
CID 146325220
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-isocyanobenzonitrile
CID 153461957
9-[2-[6-isocyano-9-(3-isocyanophenyl)carbazol-4-yl]phenyl]carbazole-3-carbonitrile
CID 140760338

Frequently Asked Questions

What is the IUPAC name of 9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile (CID 140823064) is 9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile is [C-]#[N+]c1ccc2c(c1)c1c3c(ccc1n2-c1cccc(-n2c4ccccc4c4cc(C#N)ccc42)n1)C(C)(C)c1ccccc1-3.
What is the InChIKey of 9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile?
The InChIKey is DVOAMWWSKFCNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5/c1-40(2)30-11-6-4-10-27(30)38-31(40)17-20-35-39(38)29-22-25(42-3)16-19-34(29)45(35)37-14-8-13-36(43-37)44-32-12-7-5-9-26(32)28-21-24(23-41)15-18-33(28)44/h4-22H,1-2H3.
What are the key properties of 9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile?
9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile has a molecular weight of 575.68 g/mol, XLogP of 10.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile is sourced from PubChem (CID 140823064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).