19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

C61H39N2- — CID 145280619

IUPAC19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
SMILESC1=C(c2cccc3ccccc23)C=C(c2cccc3ccccc23)[N-]C1c1ccc(-c2cc3c4ccccc4c4c(c5ccccc5n4-c4ccccc4)c3c3ccccc23)cc1
InChIInChI=1S/C61H39N2/c1-2-20-44(21-3-1)63-58-31-13-12-28-53(58)60-59-51-26-10-8-24-48(51)54(38-55(59)49-25-9-11-27-52(49)61(60)63)41-32-34-42(35-33-41)56-36-43(47-29-14-18-39-16-4-6-22-45(39)47)37-57(62-56)50-30-15-19-40-17-5-7-23-46(40)50/h1-38,56H/q-1
InChIKeyOAJHDPTUGCFEAV-UHFFFAOYSA-N
MW800.00 g/mol
LogP16.77
Rot. Bonds5

About 19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (PubChem CID 145280619) has the molecular formula C61H39N2- and a molecular weight of 800.00 g/mol. Its IUPAC name is 19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

Compound Name19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
PubChem CID145280619
Molecular FormulaC61H39N2-
Molecular Weight800.00 g/mol
Exact Mass799.31
IUPAC Name19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
SMILESC1=C(c2cccc3ccccc23)C=C(c2cccc3ccccc23)[N-]C1c1ccc(-c2cc3c4ccccc4c4c(c5ccccc5n4-c4ccccc4)c3c3ccccc23)cc1
InChIInChI=1S/C61H39N2/c1-2-20-44(21-3-1)63-58-31-13-12-28-53(58)60-59-51-26-10-8-24-48(51)54(38-55(59)49-25-9-11-27-52(49)61(60)63)41-32-34-42(35-33-41)56-36-43(47-29-14-18-39-16-4-6-22-45(39)47)37-57(62-56)50-30-15-19-40-17-5-7-23-46(40)50/h1-38,56H/q-1
InChIKeyOAJHDPTUGCFEAV-UHFFFAOYSA-N
XLogP16.77
TPSA19.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.00
LogP ≤ 516.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-phenyl-19-[4-[4-phenyl-6-(4-phenylphenyl)-2H-pyridin-1-id-2-yl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 145280498
19-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 157070379
19-phenyl-9-[4-[4-(4-phenylphenyl)phenyl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 140913695
19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 159812183
19-phenanthren-9-yl-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162651
9-(3-naphthalen-1-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
CID 129299053
19-phenyl-9-(4-triphenylen-2-ylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162805
9-phenyl-19-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 140913818
9-phenyl-19-[4-[6-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 145280624
9-[4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162830
N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 140913706
19-[4-[1-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166702518

Frequently Asked Questions

What is the IUPAC name of 19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
The IUPAC name of 19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (CID 145280619) is 19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.
What is the SMILES notation for 19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
The canonical SMILES for 19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is C1=C(c2cccc3ccccc23)C=C(c2cccc3ccccc23)[N-]C1c1ccc(-c2cc3c4ccccc4c4c(c5ccccc5n4-c4ccccc4)c3c3ccccc23)cc1.
What is the InChIKey of 19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
The InChIKey is OAJHDPTUGCFEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N2/c1-2-20-44(21-3-1)63-58-31-13-12-28-53(58)60-59-51-26-10-8-24-48(51)54(38-55(59)49-25-9-11-27-52(49)61(60)63)41-32-34-42(35-33-41)56-36-43(47-29-14-18-39-16-4-6-22-45(39)47)37-57(62-56)50-30-15-19-40-17-5-7-23-46(40)50/h1-38,56H/q-1.
What are the key properties of 19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene has a molecular weight of 800.00 g/mol, XLogP of 16.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[4-(4,6-dinaphthalen-1-yl-2H-pyridin-1-id-2-yl)phenyl]-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 145280619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).