5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole

C56H50N4 — CID 59344138

IUPAC5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cnccc2n3-c2cc(C)c(-c3c(C)cc(-n4c5ccncc5c5cc(-c6c(C)cc(C)cc6C)ccc54)cc3C)c(C)c2)c(C)c1
InChIInChI=1S/C56H50N4/c1-31-19-33(3)53(34(4)20-31)41-11-13-49-45(27-41)47-29-57-17-15-51(47)59(49)43-23-37(7)55(38(8)24-43)56-39(9)25-44(26-40(56)10)60-50-14-12-42(54-35(5)21-32(2)22-36(54)6)28-46(50)48-30-58-18-16-52(48)60/h11-30H,1-10H3
InChIKeyNKTKWRWLHUOKHF-UHFFFAOYSA-N
MW779.04 g/mol
LogP14.76
Rot. Bonds5

About 5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole

5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole (PubChem CID 59344138) has the molecular formula C56H50N4 and a molecular weight of 779.04 g/mol. Its IUPAC name is 5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole
PubChem CID59344138
Molecular FormulaC56H50N4
Molecular Weight779.04 g/mol
Exact Mass778.40
IUPAC Name5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cnccc2n3-c2cc(C)c(-c3c(C)cc(-n4c5ccncc5c5cc(-c6c(C)cc(C)cc6C)ccc54)cc3C)c(C)c2)c(C)c1
InChIInChI=1S/C56H50N4/c1-31-19-33(3)53(34(4)20-31)41-11-13-49-45(27-41)47-29-57-17-15-51(47)59(49)43-23-37(7)55(38(8)24-43)56-39(9)25-44(26-40(56)10)60-50-14-12-42(54-35(5)21-32(2)22-36(54)6)28-46(50)48-30-58-18-16-52(48)60/h11-30H,1-10H3
InChIKeyNKTKWRWLHUOKHF-UHFFFAOYSA-N
XLogP14.76
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.04
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole 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

8-[4-(4-methylphenyl)phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143216225
8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 146427804
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole
CID 143691808
8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
CID 70663911
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59372042
5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indole
CID 163828914
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
5-[5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)pyrido[4,3-b]indol-8-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118517604
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
CID 159089156

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole?
The IUPAC name of 5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole (CID 59344138) is 5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole?
The canonical SMILES for 5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole is Cc1cc(C)c(-c2ccc3c(c2)c2cnccc2n3-c2cc(C)c(-c3c(C)cc(-n4c5ccncc5c5cc(-c6c(C)cc(C)cc6C)ccc54)cc3C)c(C)c2)c(C)c1.
What is the InChIKey of 5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole?
The InChIKey is NKTKWRWLHUOKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N4/c1-31-19-33(3)53(34(4)20-31)41-11-13-49-45(27-41)47-29-57-17-15-51(47)59(49)43-23-37(7)55(38(8)24-43)56-39(9)25-44(26-40(56)10)60-50-14-12-42(54-35(5)21-32(2)22-36(54)6)28-46(50)48-30-58-18-16-52(48)60/h11-30H,1-10H3.
What are the key properties of 5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole?
5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole has a molecular weight of 779.04 g/mol, XLogP of 14.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole is sourced from PubChem (CID 59344138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).