11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene

C47H29N3O — CID 129141922

IUPAC11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene
SMILESc1ccc(-c2cccc(-c3ccc4c5cc6c7ccc8c9ccccc9oc8c7n(-c7ccccc7)c6cc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-4-13-30(14-5-1)40-20-12-21-41(48-40)31-23-24-34-38-28-39-36-25-26-37-35-19-10-11-22-45(35)51-47(37)46(36)50(33-17-8-3-9-18-33)44(39)29-43(38)49(42(34)27-31)32-15-6-2-7-16-32/h1-29H
InChIKeySRZUBSUZHKYXSR-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.51
Rot. Bonds4

About 11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene

11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene (PubChem CID 129141922) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

Compound Name11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene
PubChem CID129141922
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene
SMILESc1ccc(-c2cccc(-c3ccc4c5cc6c7ccc8c9ccccc9oc8c7n(-c7ccccc7)c6cc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-4-13-30(14-5-1)40-20-12-21-41(48-40)31-23-24-34-38-28-39-36-25-26-37-35-19-10-11-22-45(35)51-47(37)46(36)50(33-17-8-3-9-18-33)44(39)29-43(38)49(42(34)27-31)32-15-6-2-7-16-32/h1-29H
InChIKeySRZUBSUZHKYXSR-UHFFFAOYSA-N
XLogP12.51
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene with MolForge

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Related Compounds

15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 129141926
3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-24-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 129141905
15-phenyl-11-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-phenyl-15-[3-(4-phenylquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-phenyl-15-[4-(4-phenylquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 159376576
7-[4-[4-[2-[4-[3-[9-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-7-phenylcarbazol-2-yl]phenyl]phenyl]-7-phenylcarbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 167192720
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
12-[4-(2-chloro-6-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 150624614
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole
CID 126580447
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
12-[3-[2,6-bis[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126630911
12-dibenzofuran-4-yl-11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,3-a]carbazole
CID 121385253
2-[3-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 130465762

Frequently Asked Questions

What is the IUPAC name of 11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene?
The IUPAC name of 11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene (CID 129141922) is 11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene.
What is the SMILES notation for 11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene?
The canonical SMILES for 11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene is c1ccc(-c2cccc(-c3ccc4c5cc6c7ccc8c9ccccc9oc8c7n(-c7ccccc7)c6cc5n(-c5ccccc5)c4c3)n2)cc1.
What is the InChIKey of 11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene?
The InChIKey is SRZUBSUZHKYXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-4-13-30(14-5-1)40-20-12-21-41(48-40)31-23-24-34-38-28-39-36-25-26-37-35-19-10-11-22-45(35)51-47(37)46(36)50(33-17-8-3-9-18-33)44(39)29-43(38)49(42(34)27-31)32-15-6-2-7-16-32/h1-29H.
What are the key properties of 11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene?
11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene has a molecular weight of 651.77 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 129141922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).