5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

C55H48N4O — CID 70882568

IUPAC5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCCC(C)(CC)c1cc(-c2ccccc2)c(OC(C)C)c(-c2ccc(-c3cc(-n4c5ccccc5c5ncccc54)cc(-n4c5ccccc5c5ncccc54)c3)cc2)c1
InChIInChI=1S/C55H48N4O/c1-6-55(5,7-2)41-33-46(38-17-9-8-10-18-38)54(60-36(3)4)47(34-41)39-27-25-37(26-28-39)40-31-42(58-48-21-13-11-19-44(48)52-50(58)23-15-29-56-52)35-43(32-40)59-49-22-14-12-20-45(49)53-51(59)24-16-30-57-53/h8-36H,6-7H2,1-5H3
InChIKeyKVKABWUIJOFICG-UHFFFAOYSA-N
MW781.02 g/mol
LogP14.54
Rot. Bonds10

About 5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (PubChem CID 70882568) has the molecular formula C55H48N4O and a molecular weight of 781.02 g/mol. Its IUPAC name is 5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
PubChem CID70882568
Molecular FormulaC55H48N4O
Molecular Weight781.02 g/mol
Exact Mass780.38
IUPAC Name5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCCC(C)(CC)c1cc(-c2ccccc2)c(OC(C)C)c(-c2ccc(-c3cc(-n4c5ccccc5c5ncccc54)cc(-n4c5ccccc5c5ncccc54)c3)cc2)c1
InChIInChI=1S/C55H48N4O/c1-6-55(5,7-2)41-33-46(38-17-9-8-10-18-38)54(60-36(3)4)47(34-41)39-27-25-37(26-28-39)40-31-42(58-48-21-13-11-19-44(48)52-50(58)23-15-29-56-52)35-43(32-40)59-49-22-14-12-20-45(49)53-51(59)24-16-30-57-53/h8-36H,6-7H2,1-5H3
InChIKeyKVKABWUIJOFICG-UHFFFAOYSA-N
XLogP14.54
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.02
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole with MolForge

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Related Compounds

5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
5-[3-(2-tert-butyl-4,4-dimethylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
CID 163906260
8-methyl-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 144976361
9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole
CID 59358185
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
5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
CID 147714064
diphenyl-(4-phenylphenyl)-(5-phenylpyrido[3,2-b]indol-8-yl)silane
CID 159265035
1-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;2-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline;5-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline
CID 158908007
5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole
CID 118586979
5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole
CID 129253533
8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole
CID 58947239
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (CID 70882568) is 5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is CCC(C)(CC)c1cc(-c2ccccc2)c(OC(C)C)c(-c2ccc(-c3cc(-n4c5ccccc5c5ncccc54)cc(-n4c5ccccc5c5ncccc54)c3)cc2)c1.
What is the InChIKey of 5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The InChIKey is KVKABWUIJOFICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48N4O/c1-6-55(5,7-2)41-33-46(38-17-9-8-10-18-38)54(60-36(3)4)47(34-41)39-27-25-37(26-28-39)40-31-42(58-48-21-13-11-19-44(48)52-50(58)23-15-29-56-52)35-43(32-40)59-49-22-14-12-20-45(49)53-51(59)24-16-30-57-53/h8-36H,6-7H2,1-5H3.
What are the key properties of 5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole has a molecular weight of 781.02 g/mol, XLogP of 14.54, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[5-(3-methylpentan-3-yl)-3-phenyl-2-propan-2-yloxyphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 70882568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).