9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene

C53H33N3 — CID 134184019

IUPAC9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene
SMILESc1ccc(-n2c3ccccc3c3c4c5ccc6ccccc6c5n(-c5ccccc5)c4c4ccc(-c5cccc6cc(-c7ccccn7)ccc56)cc4c32)cc1
InChIInChI=1S/C53H33N3/c1-3-16-38(17-4-1)55-48-24-10-9-21-44(48)49-50-45-30-25-34-14-7-8-20-42(34)51(45)56(39-18-5-2-6-19-39)52(50)43-29-26-36(33-46(43)53(49)55)40-22-13-15-35-32-37(27-28-41(35)40)47-23-11-12-31-54-47/h1-33H
InChIKeyVTBCOXPITDWHFJ-UHFFFAOYSA-N
MW711.87 g/mol
LogP14.07
Rot. Bonds4

About 9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene

9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene (PubChem CID 134184019) has the molecular formula C53H33N3 and a molecular weight of 711.87 g/mol. Its IUPAC name is 9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene.

Molecular Properties

Compound Name9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene
PubChem CID134184019
Molecular FormulaC53H33N3
Molecular Weight711.87 g/mol
Exact Mass711.27
IUPAC Name9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene
SMILESc1ccc(-n2c3ccccc3c3c4c5ccc6ccccc6c5n(-c5ccccc5)c4c4ccc(-c5cccc6cc(-c7ccccn7)ccc56)cc4c32)cc1
InChIInChI=1S/C53H33N3/c1-3-16-38(17-4-1)55-48-24-10-9-21-44(48)49-50-45-30-25-34-14-7-8-20-42(34)51(45)56(39-18-5-2-6-19-39)52(50)43-29-26-36(33-46(43)53(49)55)40-22-13-15-35-32-37(27-28-41(35)40)47-23-11-12-31-54-47/h1-33H
InChIKeyVTBCOXPITDWHFJ-UHFFFAOYSA-N
XLogP14.07
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.87
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene with MolForge

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Related Compounds

18-(2,6-dipyridin-2-yl-4-pyridinyl)-9-phenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 134183972
18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 139555597
11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole
CID 163515098
11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
CID 144568635
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
3-[4-[2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 118361226
7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(4-naphthalen-1-ylphenyl)indolo[2,3-c]quinoline;7-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(4-phenylphenyl)indolo[2,3-c]quinoline;7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(4-phenylphenyl)indolo[2,3-c]quinoline
CID 158266041
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 163766201
5-(2,6-dipyridin-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 145009858
7-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
CID 129221411
12-(2,6-dipyridin-2-ylphenyl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145009975

Frequently Asked Questions

What is the IUPAC name of 9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene?
The IUPAC name of 9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene (CID 134184019) is 9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene.
What is the SMILES notation for 9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene?
The canonical SMILES for 9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene is c1ccc(-n2c3ccccc3c3c4c5ccc6ccccc6c5n(-c5ccccc5)c4c4ccc(-c5cccc6cc(-c7ccccn7)ccc56)cc4c32)cc1.
What is the InChIKey of 9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene?
The InChIKey is VTBCOXPITDWHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3/c1-3-16-38(17-4-1)55-48-24-10-9-21-44(48)49-50-45-30-25-34-14-7-8-20-42(34)51(45)56(39-18-5-2-6-19-39)52(50)43-29-26-36(33-46(43)53(49)55)40-22-13-15-35-32-37(27-28-41(35)40)47-23-11-12-31-54-47/h1-33H.
What are the key properties of 9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene?
9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene has a molecular weight of 711.87 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene is sourced from PubChem (CID 134184019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).