2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine

C91H56N4 — CID 163571774

IUPAC2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine
SMILESCc1cn2cc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccc(-c5ccc(-c6c7c(c(-c8ccccc8)c8ccccc68)-c6ccc(-c8cccc(-c9ccc%10nc(-c%11ccccc%11)cn%10c9)c8)c8cccc-7c68)cc5)cc4)c4ccccc4c3-c3ccccc3)ccc2n1
InChIInChI=1S/C91H56N4/c1-55-51-94-53-66(43-49-80(94)92-55)68-45-47-78-87-70(68)31-17-33-76(87)88-82(59-20-7-3-8-21-59)71-26-11-14-29-74(71)85(91(78)88)62-40-36-57(37-41-62)56-34-38-61(39-35-56)84-73-28-13-12-27-72(73)83(60-22-9-4-10-23-60)90-77-46-44-67(69-30-16-32-75(86(69)77)89(84)90)64-25-15-24-63(50-64)65-42-48-81-93-79(54-95(81)52-65)58-18-5-2-6-19-58/h2-54H,1H3
InChIKeyFZYRITFGORCJRQ-UHFFFAOYSA-N
MW1205.48 g/mol
LogP24.20
Rot. Bonds9

About 2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine

2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine (PubChem CID 163571774) has the molecular formula C91H56N4 and a molecular weight of 1205.48 g/mol. Its IUPAC name is 2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine
PubChem CID163571774
Molecular FormulaC91H56N4
Molecular Weight1205.48 g/mol
Exact Mass1204.45
IUPAC Name2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine
SMILESCc1cn2cc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccc(-c5ccc(-c6c7c(c(-c8ccccc8)c8ccccc68)-c6ccc(-c8cccc(-c9ccc%10nc(-c%11ccccc%11)cn%10c9)c8)c8cccc-7c68)cc5)cc4)c4ccccc4c3-c3ccccc3)ccc2n1
InChIInChI=1S/C91H56N4/c1-55-51-94-53-66(43-49-80(94)92-55)68-45-47-78-87-70(68)31-17-33-76(87)88-82(59-20-7-3-8-21-59)71-26-11-14-29-74(71)85(91(78)88)62-40-36-57(37-41-62)56-34-38-61(39-35-56)84-73-28-13-12-27-72(73)83(60-22-9-4-10-23-60)90-77-46-44-67(69-30-16-32-75(86(69)77)89(84)90)64-25-15-24-63(50-64)65-42-48-81-93-79(54-95(81)52-65)58-18-5-2-6-19-58/h2-54H,1H3
InChIKeyFZYRITFGORCJRQ-UHFFFAOYSA-N
XLogP24.20
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.48
LogP ≤ 524.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
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CID 89089695
2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline
CID 134167705
2-[4-[10-[4-[10-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-7-phenylimidazo[1,2-a]pyridine;6-phenyl-2-[4-[10-[4-[10-[4-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
CID 158282374
3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58988802
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
3-[6-[4-(fluoromethyl)phenyl]naphthalen-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 118579663
7,12-bis(3,5-dimethylphenyl)-3,9-bis(3-methylphenyl)benzo[k]fluoranthene
CID 157207243
3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole
CID 58988845
6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine
CID 122665464
3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58250850

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine (CID 163571774) is 2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine is Cc1cn2cc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccc(-c5ccc(-c6c7c(c(-c8ccccc8)c8ccccc68)-c6ccc(-c8cccc(-c9ccc%10nc(-c%11ccccc%11)cn%10c9)c8)c8cccc-7c68)cc5)cc4)c4ccccc4c3-c3ccccc3)ccc2n1.
What is the InChIKey of 2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is FZYRITFGORCJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H56N4/c1-55-51-94-53-66(43-49-80(94)92-55)68-45-47-78-87-70(68)31-17-33-76(87)88-82(59-20-7-3-8-21-59)71-26-11-14-29-74(71)85(91(78)88)62-40-36-57(37-41-62)56-34-38-61(39-35-56)84-73-28-13-12-27-72(73)83(60-22-9-4-10-23-60)90-77-46-44-67(69-30-16-32-75(86(69)77)89(84)90)64-25-15-24-63(50-64)65-42-48-81-93-79(54-95(81)52-65)58-18-5-2-6-19-58/h2-54H,1H3.
What are the key properties of 2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine?
2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 1205.48 g/mol, XLogP of 24.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[12-phenyl-7-[4-[4-[12-phenyl-3-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]fluoranthen-7-yl]phenyl]phenyl]benzo[k]fluoranthen-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 163571774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).