18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene

C52H38N4 — CID 147957827

IUPAC18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3c4c5c(ccc4n(-c4ccccc4)c3c21)c1c(n5-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)C=CCC1
InChIInChI=1S/C52H38N4/c1-52(2)42-21-11-9-19-37(42)39-29-30-41-47-46(55(50(41)48(39)52)34-15-5-3-6-16-34)32-31-40-38-20-10-13-23-44(38)54(49(40)47)36-27-25-33(26-28-36)51-53-43-22-12-14-24-45(43)56(51)35-17-7-4-8-18-35/h3-9,11-19,21-32H,10,20H2,1-2H3
InChIKeyIOWOYZOLJRMYOW-UHFFFAOYSA-N
MW718.90 g/mol
LogP13.00
Rot. Bonds4

About 18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene

18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene (PubChem CID 147957827) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is 18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene.

Molecular Properties

Compound Name18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene
PubChem CID147957827
Molecular FormulaC52H38N4
Molecular Weight718.90 g/mol
Exact Mass718.31
IUPAC Name18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3c4c5c(ccc4n(-c4ccccc4)c3c21)c1c(n5-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)C=CCC1
InChIInChI=1S/C52H38N4/c1-52(2)42-21-11-9-19-37(42)39-29-30-41-47-46(55(50(41)48(39)52)34-15-5-3-6-16-34)32-31-40-38-20-10-13-23-44(38)54(49(40)47)36-27-25-33(26-28-36)51-53-43-22-12-14-24-45(43)56(51)35-17-7-4-8-18-35/h3-9,11-19,21-32H,10,20H2,1-2H3
InChIKeyIOWOYZOLJRMYOW-UHFFFAOYSA-N
XLogP13.00
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene 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

12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
CID 90324779
12,12-dimethyl-2,8-diphenyl-11-[4-(2-phenylbenzimidazol-1-yl)phenyl]indeno[2,1-a]carbazole
CID 90324800
1-phenyl-2-[4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)phenyl]benzimidazole
CID 58142510
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-phenyl-12-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[2,3-a]carbazole
CID 160948499
11-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472124
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
2-[4-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411797
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole
CID 156574722
12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
CID 90324685
12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-naphthalen-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenylindeno[2,1-a]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 157451111

Frequently Asked Questions

What is the IUPAC name of 18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene?
The IUPAC name of 18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene (CID 147957827) is 18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene.
What is the SMILES notation for 18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene?
The canonical SMILES for 18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene is CC1(C)c2ccccc2-c2ccc3c4c5c(ccc4n(-c4ccccc4)c3c21)c1c(n5-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)C=CCC1.
What is the InChIKey of 18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene?
The InChIKey is IOWOYZOLJRMYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4/c1-52(2)42-21-11-9-19-37(42)39-29-30-41-47-46(55(50(41)48(39)52)34-15-5-3-6-16-34)32-31-40-38-20-10-13-23-44(38)54(49(40)47)36-27-25-33(26-28-36)51-53-43-22-12-14-24-45(43)56(51)35-17-7-4-8-18-35/h3-9,11-19,21-32H,10,20H2,1-2H3.
What are the key properties of 18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene?
18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene has a molecular weight of 718.90 g/mol, XLogP of 13.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18,18-dimethyl-15-phenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,12,17(25),19,21,23,26-undecaene is sourced from PubChem (CID 147957827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).