5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine

C53H51N3 — CID 143691807

IUPAC5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine
SMILESCC.CC.Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-n2c3ccccc3c3cnccc32)c1.Cc1ccccc1-c1cnccc1C
InChIInChI=1S/C36H26N2.C13H13N.2C2H6/c1-25-18-28(23-32(19-25)38-35-15-9-8-14-33(35)34-24-37-17-16-36(34)38)31-21-29(26-10-4-2-5-11-26)20-30(22-31)27-12-6-3-7-13-27;1-10-5-3-4-6-12(10)13-9-14-8-7-11(13)2;2*1-2/h2-24H,1H3;3-9H,1-2H3;2*1-2H3
InChIKeyAPRQOVNCIHEACT-UHFFFAOYSA-N
MW730.01 g/mol
LogP14.91
Rot. Bonds5

About 5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine

5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine (PubChem CID 143691807) has the molecular formula C53H51N3 and a molecular weight of 730.01 g/mol. Its IUPAC name is 5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine.

Molecular Properties

Compound Name5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine
PubChem CID143691807
Molecular FormulaC53H51N3
Molecular Weight730.01 g/mol
Exact Mass729.41
IUPAC Name5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine
SMILESCC.CC.Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-n2c3ccccc3c3cnccc32)c1.Cc1ccccc1-c1cnccc1C
InChIInChI=1S/C36H26N2.C13H13N.2C2H6/c1-25-18-28(23-32(19-25)38-35-15-9-8-14-33(35)34-24-37-17-16-36(34)38)31-21-29(26-10-4-2-5-11-26)20-30(22-31)27-12-6-3-7-13-27;1-10-5-3-4-6-12(10)13-9-14-8-7-11(13)2;2*1-2/h2-24H,1H3;3-9H,1-2H3;2*1-2H3
InChIKeyAPRQOVNCIHEACT-UHFFFAOYSA-N
XLogP14.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.01
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole
CID 143691808
5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole
CID 164785743
5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 151566908
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
9-(3,5-diphenylphenyl)carbazole
CID 86068368
(3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene
CID 145482140
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-phenyl-9-[3-[3-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole;8-[3-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158224588
3-[9-[3-(3,5-diphenylphenyl)-5-methylphenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144560195
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3-[3-(3-carbazol-9-ylphenyl)-5-methylphenyl]phenyl]carbazole
CID 59841971
5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252593

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine?
The IUPAC name of 5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine (CID 143691807) is 5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine.
What is the SMILES notation for 5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine?
The canonical SMILES for 5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine is CC.CC.Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-n2c3ccccc3c3cnccc32)c1.Cc1ccccc1-c1cnccc1C.
What is the InChIKey of 5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine?
The InChIKey is APRQOVNCIHEACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2.C13H13N.2C2H6/c1-25-18-28(23-32(19-25)38-35-15-9-8-14-33(35)34-24-37-17-16-36(34)38)31-21-29(26-10-4-2-5-11-26)20-30(22-31)27-12-6-3-7-13-27;1-10-5-3-4-6-12(10)13-9-14-8-7-11(13)2;2*1-2/h2-24H,1H3;3-9H,1-2H3;2*1-2H3.
What are the key properties of 5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine?
5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine has a molecular weight of 730.01 g/mol, XLogP of 14.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine is sourced from PubChem (CID 143691807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).