9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene

C56H35N7 — CID 58732005

IUPAC9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2nccnc2-c2ccc(-c4nc5cccnc5n4-c4ccccc4)cc2-c2nccnc2-3)cc1
InChIInChI=1S/C56H35N7/c1-6-17-36(18-7-1)45-46(37-19-8-2-9-20-37)48(39-23-12-4-13-24-39)50-49(47(45)38-21-10-3-11-22-38)53-51(57-31-33-59-53)42-29-28-40(35-43(42)52-54(50)60-34-32-58-52)55-62-44-27-16-30-61-56(44)63(55)41-25-14-5-15-26-41/h1-35H/b51-42+,52-43+,53-49+,54-50+
InChIKeyQHAZJRPCJXTJBU-SRAZONSESA-N
MW805.95 g/mol
LogP13.32
Rot. Bonds6

About 9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene

9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene (PubChem CID 58732005) has the molecular formula C56H35N7 and a molecular weight of 805.95 g/mol. Its IUPAC name is 9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene.

Molecular Properties

Compound Name9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene
PubChem CID58732005
Molecular FormulaC56H35N7
Molecular Weight805.95 g/mol
Exact Mass805.30
IUPAC Name9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2nccnc2-c2ccc(-c4nc5cccnc5n4-c4ccccc4)cc2-c2nccnc2-3)cc1
InChIInChI=1S/C56H35N7/c1-6-17-36(18-7-1)45-46(37-19-8-2-9-20-37)48(39-23-12-4-13-24-39)50-49(47(45)38-21-10-3-11-22-38)53-51(57-31-33-59-53)42-29-28-40(35-43(42)52-54(50)60-34-32-58-52)55-62-44-27-16-30-61-56(44)63(55)41-25-14-5-15-26-41/h1-35H/b51-42+,52-43+,53-49+,54-50+
InChIKeyQHAZJRPCJXTJBU-SRAZONSESA-N
XLogP13.32
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.95
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene with MolForge

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Related Compounds

2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
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
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine
CID 59336473
2-[3-fluoro-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391315
2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391310
2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-[3,5-bis[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]-1-(2-phenylphenyl)benzimidazole;2-[3-methyl-4-[2-methyl-4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine;3-phenyl-2-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[3-phenyl-4-[2-phenyl-4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine
CID 157308555
3-(2,6-dimethylphenyl)-2-[4-[4-[4-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-(2-methylphenyl)-2-[3-[3-[4-[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[3-[4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine
CID 160859064
3-phenyl-2-[7-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-3,3'-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl]imidazo[4,5-b]pyridine
CID 59866413
2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine
CID 58803402
3-phenyl-2-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)-5-pyren-4-ylphenyl]imidazo[4,5-b]pyridine
CID 23391353
CID 58803437
CID 58803437

Frequently Asked Questions

What is the IUPAC name of 9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene?
The IUPAC name of 9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene (CID 58732005) is 9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene.
What is the SMILES notation for 9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene?
The canonical SMILES for 9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2nccnc2-c2ccc(-c4nc5cccnc5n4-c4ccccc4)cc2-c2nccnc2-3)cc1.
What is the InChIKey of 9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene?
The InChIKey is QHAZJRPCJXTJBU-SRAZONSESA-N. The full InChI is InChI=1S/C56H35N7/c1-6-17-36(18-7-1)45-46(37-19-8-2-9-20-37)48(39-23-12-4-13-24-39)50-49(47(45)38-21-10-3-11-22-38)53-51(57-31-33-59-53)42-29-28-40(35-43(42)52-54(50)60-34-32-58-52)55-62-44-27-16-30-61-56(44)63(55)41-25-14-5-15-26-41/h1-35H/b51-42+,52-43+,53-49+,54-50+.
What are the key properties of 9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene?
9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene has a molecular weight of 805.95 g/mol, XLogP of 13.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene is sourced from PubChem (CID 58732005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).