2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane

C71H65BrN8 — CID 158552321

IUPAC2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane
SMILESBrc1ccc(-c2nc3cccnc3n2-c2ccccc2)cc1.CC1(C)c2ccccc2N(c2ccc(-c3nc4cccnc4n3-c3ccccc3)cc2)c2ccccc21.CC1(C)c2ccccc2Nc2ccccc21.CCCCC
InChIInChI=1S/C33H26N4.C18H12BrN3.C15H15N.C5H12/c1-33(2)26-13-6-8-16-29(26)36(30-17-9-7-14-27(30)33)25-20-18-23(19-21-25)31-35-28-15-10-22-34-32(28)37(31)24-11-4-3-5-12-24;19-14-10-8-13(9-11-14)17-21-16-7-4-12-20-18(16)22(17)15-5-2-1-3-6-15;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-3-5-4-2/h3-22H,1-2H3;1-12H;3-10,16H,1-2H3;3-5H2,1-2H3
InChIKeyHPWHVWDZPWGMCS-UHFFFAOYSA-N
MW1110.26 g/mol
LogP19.31
Rot. Bonds7

About 2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane

2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane (PubChem CID 158552321) has the molecular formula C71H65BrN8 and a molecular weight of 1110.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane
PubChem CID158552321
Molecular FormulaC71H65BrN8
Molecular Weight1110.26 g/mol
Exact Mass1108.45
IUPAC Name2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane
SMILESBrc1ccc(-c2nc3cccnc3n2-c2ccccc2)cc1.CC1(C)c2ccccc2N(c2ccc(-c3nc4cccnc4n3-c3ccccc3)cc2)c2ccccc21.CC1(C)c2ccccc2Nc2ccccc21.CCCCC
InChIInChI=1S/C33H26N4.C18H12BrN3.C15H15N.C5H12/c1-33(2)26-13-6-8-16-29(26)36(30-17-9-7-14-27(30)33)25-20-18-23(19-21-25)31-35-28-15-10-22-34-32(28)37(31)24-11-4-3-5-12-24;19-14-10-8-13(9-11-14)17-21-16-7-4-12-20-18(16)22(17)15-5-2-1-3-6-15;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-3-5-4-2/h3-22H,1-2H3;1-12H;3-10,16H,1-2H3;3-5H2,1-2H3
InChIKeyHPWHVWDZPWGMCS-UHFFFAOYSA-N
XLogP19.31
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001110.26
LogP ≤ 519.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane with MolForge

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Related Compounds

2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391310
9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
CID 158720213
14,14-dimethyl-10-phenyl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66805197
2,7-ditert-butyl-9,9-dimethyl-10-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;2,7-ditert-butyl-9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;2,7-ditert-butyl-9,9-dimethyl-10-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]acridine;2,7-ditert-butyl-9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]acridine
CID 158179456
3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 23391355
2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine
CID 154952703
11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine
CID 23527845
10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244961
10-[4-(1,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244948
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane?
The IUPAC name of 2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane (CID 158552321) is 2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane.
What is the SMILES notation for 2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane?
The canonical SMILES for 2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane is Brc1ccc(-c2nc3cccnc3n2-c2ccccc2)cc1.CC1(C)c2ccccc2N(c2ccc(-c3nc4cccnc4n3-c3ccccc3)cc2)c2ccccc21.CC1(C)c2ccccc2Nc2ccccc21.CCCCC.
What is the InChIKey of 2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane?
The InChIKey is HPWHVWDZPWGMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4.C18H12BrN3.C15H15N.C5H12/c1-33(2)26-13-6-8-16-29(26)36(30-17-9-7-14-27(30)33)25-20-18-23(19-21-25)31-35-28-15-10-22-34-32(28)37(31)24-11-4-3-5-12-24;19-14-10-8-13(9-11-14)17-21-16-7-4-12-20-18(16)22(17)15-5-2-1-3-6-15;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-3-5-4-2/h3-22H,1-2H3;1-12H;3-10,16H,1-2H3;3-5H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane?
2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane has a molecular weight of 1110.26 g/mol, XLogP of 19.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;9,9-dimethyl-10H-acridine;9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;pentane is sourced from PubChem (CID 158552321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).