18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene

C53H36N2 — CID 134266228

IUPAC18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c4c(c5c(cc4c21)c1ccccc1n5-c1cc(-c2ccc4ccccc4c2)cc(-c2ccc4ccccc4c2)n1)C=CC3
InChIInChI=1S/C53H36N2/c1-53(2)46-20-9-7-17-40(46)43-28-38-16-11-19-42-50(38)45(51(43)53)31-44-41-18-8-10-21-48(41)55(52(42)44)49-30-39(36-24-22-32-12-3-5-14-34(32)26-36)29-47(54-49)37-25-23-33-13-4-6-15-35(33)27-37/h3-15,17-31H,16H2,1-2H3
InChIKeyMRLNQHGGOCOFOO-UHFFFAOYSA-N
MW700.89 g/mol
LogP13.85
Rot. Bonds3

About 18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene

18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene (PubChem CID 134266228) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is 18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene.

Molecular Properties

Compound Name18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene
PubChem CID134266228
Molecular FormulaC53H36N2
Molecular Weight700.89 g/mol
Exact Mass700.29
IUPAC Name18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c4c(c5c(cc4c21)c1ccccc1n5-c1cc(-c2ccc4ccccc4c2)cc(-c2ccc4ccccc4c2)n1)C=CC3
InChIInChI=1S/C53H36N2/c1-53(2)46-20-9-7-17-40(46)43-28-38-16-11-19-42-50(38)45(51(43)53)31-44-41-18-8-10-21-48(41)55(52(42)44)49-30-39(36-24-22-32-12-3-5-14-34(32)26-36)29-47(54-49)37-25-23-33-13-4-6-15-35(33)27-37/h3-15,17-31H,16H2,1-2H3
InChIKeyMRLNQHGGOCOFOO-UHFFFAOYSA-N
XLogP13.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene with MolForge

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Related Compounds

18-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene
CID 134266229
3,3-dimethyl-11-(4-naphthalen-2-yl-6-phenyl-2-pyridinyl)-11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 121322472
9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole
CID 90164584
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole;9-(4,6-diphenyl-2-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 163711135
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 160723883
9-[3-carbazol-9-yl-5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158160241
7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 130209425
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510009
1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312405
6-(9,9-dimethylfluoren-2-yl)-1-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 145327732
3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole
CID 130295137

Frequently Asked Questions

What is the IUPAC name of 18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene?
The IUPAC name of 18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene (CID 134266228) is 18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene.
What is the SMILES notation for 18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene?
The canonical SMILES for 18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene is CC1(C)c2ccccc2-c2cc3c4c(c5c(cc4c21)c1ccccc1n5-c1cc(-c2ccc4ccccc4c2)cc(-c2ccc4ccccc4c2)n1)C=CC3.
What is the InChIKey of 18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene?
The InChIKey is MRLNQHGGOCOFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-53(2)46-20-9-7-17-40(46)43-28-38-16-11-19-42-50(38)45(51(43)53)31-44-41-18-8-10-21-48(41)55(52(42)44)49-30-39(36-24-22-32-12-3-5-14-34(32)26-36)29-47(54-49)37-25-23-33-13-4-6-15-35(33)27-37/h3-15,17-31H,16H2,1-2H3.
What are the key properties of 18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene?
18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene has a molecular weight of 700.89 g/mol, XLogP of 13.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(4,6-dinaphthalen-2-yl-2-pyridinyl)-3,3-dimethyl-18-azaheptacyclo[14.10.1.02,10.04,9.012,27.017,25.019,24]heptacosa-1(27),2(10),4,6,8,11,14,16,19,21,23,25-dodecaene is sourced from PubChem (CID 134266228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).