15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene

C45H30N4 — CID 118489114

IUPAC15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene
SMILESCC1(C)c2cc3ccc4c(-c5cccc(-c6ccccn6)c5)ccnc4c3nc2-c2c1cc(-c1ccc3ccccc3c1)c1cccnc21
InChIInChI=1S/C45H30N4/c1-45(2)37-26-36(30-16-15-27-9-3-4-10-28(27)23-30)34-13-8-21-47-42(34)40(37)44-38(45)25-32-17-18-35-33(19-22-48-43(35)41(32)49-44)29-11-7-12-31(24-29)39-14-5-6-20-46-39/h3-26H,1-2H3
InChIKeyHWQHNZLBRDGQBW-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.19
Rot. Bonds3

About 15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene

15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene (PubChem CID 118489114) has the molecular formula C45H30N4 and a molecular weight of 626.76 g/mol. Its IUPAC name is 15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene.

Molecular Properties

Compound Name15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene
PubChem CID118489114
Molecular FormulaC45H30N4
Molecular Weight626.76 g/mol
Exact Mass626.25
IUPAC Name15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene
SMILESCC1(C)c2cc3ccc4c(-c5cccc(-c6ccccn6)c5)ccnc4c3nc2-c2c1cc(-c1ccc3ccccc3c1)c1cccnc21
InChIInChI=1S/C45H30N4/c1-45(2)37-26-36(30-16-15-27-9-3-4-10-28(27)23-30)34-13-8-21-47-42(34)40(37)44-38(45)25-32-17-18-35-33(19-22-48-43(35)41(32)49-44)29-11-7-12-31(24-29)39-14-5-6-20-46-39/h3-26H,1-2H3
InChIKeyHWQHNZLBRDGQBW-UHFFFAOYSA-N
XLogP11.19
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-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

15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene
CID 118489074
5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]-1,10-phenanthroline
CID 158941030
4-[3-[4-naphthalen-2-yl-6-[3-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 137484515
4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline
CID 168853179
5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline
CID 59183207
2-anthracen-2-yl-1,10-phenanthroline;5-anthracen-2-yl-1,10-phenanthroline;2-(9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;5-(9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline;5-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline
CID 159482909
12,12-dimethyl-9,15-dinaphthalen-2-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151535
7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline
CID 88549693
12,12-dimethyl-9-naphthalen-2-yl-15-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140710788
7-methyl-2-[3-[3-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-1,10-phenanthroline
CID 138662447
2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 165006532
4-[6-[4-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 137484448

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene?
The IUPAC name of 15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene (CID 118489114) is 15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene.
What is the SMILES notation for 15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene?
The canonical SMILES for 15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene is CC1(C)c2cc3ccc4c(-c5cccc(-c6ccccn6)c5)ccnc4c3nc2-c2c1cc(-c1ccc3ccccc3c1)c1cccnc21.
What is the InChIKey of 15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene?
The InChIKey is HWQHNZLBRDGQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4/c1-45(2)37-26-36(30-16-15-27-9-3-4-10-28(27)23-30)34-13-8-21-47-42(34)40(37)44-38(45)25-32-17-18-35-33(19-22-48-43(35)41(32)49-44)29-11-7-12-31(24-29)39-14-5-6-20-46-39/h3-26H,1-2H3.
What are the key properties of 15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene?
15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene has a molecular weight of 626.76 g/mol, XLogP of 11.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-18-naphthalen-2-yl-8-(3-pyridin-2-ylphenyl)-2,5,23-triazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene is sourced from PubChem (CID 118489114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).