4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile

C62H36N6 — CID 174169868

IUPAC4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c1-c1ccccc1
InChIInChI=1S/C62H36N6/c63-37-40-36-41(38-64)61(67-50-30-16-12-26-46(50)59-54(67)34-32-52-57(59)44-24-10-14-28-48(44)65(52)42-20-6-2-7-21-42)62(56(40)39-18-4-1-5-19-39)68-51-31-17-13-27-47(51)60-55(68)35-33-53-58(60)45-25-11-15-29-49(45)66(53)43-22-8-3-9-23-43/h1-36H
InChIKeyQWEDRSPWSCENRL-UHFFFAOYSA-N
MW865.01 g/mol
LogP15.49
Rot. Bonds5

About 4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile

4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile (PubChem CID 174169868) has the molecular formula C62H36N6 and a molecular weight of 865.01 g/mol. Its IUPAC name is 4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile
PubChem CID174169868
Molecular FormulaC62H36N6
Molecular Weight865.01 g/mol
Exact Mass864.30
IUPAC Name4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c1-c1ccccc1
InChIInChI=1S/C62H36N6/c63-37-40-36-41(38-64)61(67-50-30-16-12-26-46(50)59-54(67)34-32-52-57(59)44-24-10-14-28-48(44)65(52)42-20-6-2-7-21-42)62(56(40)39-18-4-1-5-19-39)68-51-31-17-13-27-47(51)60-55(68)35-33-53-58(60)45-25-11-15-29-49(45)66(53)43-22-8-3-9-23-43/h1-36H
InChIKeyQWEDRSPWSCENRL-UHFFFAOYSA-N
XLogP15.49
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.01
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile 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

5-isocyano-2-phenyl-3,4-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 170670790
4-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 146180148
2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile
CID 155357747
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137368903
4,5-bis([1]benzofuro[3,2-b]carbazol-11-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 174169849
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzofuran-2-carbonitrile
CID 155159425
9-phenyl-14-[10-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)anthracen-9-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170394033
1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile
CID 155131718
3-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 167107914
2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328874

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile?
The IUPAC name of 4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile (CID 174169868) is 4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile.
What is the SMILES notation for 4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile?
The canonical SMILES for 4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile is N#Cc1cc(C#N)c(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile?
The InChIKey is QWEDRSPWSCENRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N6/c63-37-40-36-41(38-64)61(67-50-30-16-12-26-46(50)59-54(67)34-32-52-57(59)44-24-10-14-28-48(44)65(52)42-20-6-2-7-21-42)62(56(40)39-18-4-1-5-19-39)68-51-31-17-13-27-47(51)60-55(68)35-33-53-58(60)45-25-11-15-29-49(45)66(53)43-22-8-3-9-23-43/h1-36H.
What are the key properties of 4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile?
4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile has a molecular weight of 865.01 g/mol, XLogP of 15.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5,6-bis(14-phenyl-9,14-diazapentacyclo[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-1,3-dicarbonitrile is sourced from PubChem (CID 174169868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).