17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene

C54H32N2O2 — CID 163583098

IUPAC17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene
SMILESc1ccc(-c2cccc(-n3c4cc5c(cc4c4ccc6oc7ccccc7c6c43)c3ccc4oc6ccccc6c4c3n5-c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C54H32N2O2/c1-3-13-33(14-4-1)35-17-11-19-37(29-35)55-45-32-46-44(31-43(45)39-25-27-49-51(53(39)55)41-21-7-9-23-47(41)57-49)40-26-28-50-52(42-22-8-10-24-48(42)58-50)54(40)56(46)38-20-12-18-36(30-38)34-15-5-2-6-16-34/h1-32H
InChIKeyGJFGCYHGNWZHNF-UHFFFAOYSA-N
MW740.86 g/mol
LogP15.01
Rot. Bonds4

About 17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene

17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene (PubChem CID 163583098) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene.

Molecular Properties

Compound Name17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene
PubChem CID163583098
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene
SMILESc1ccc(-c2cccc(-n3c4cc5c(cc4c4ccc6oc7ccccc7c6c43)c3ccc4oc6ccccc6c4c3n5-c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C54H32N2O2/c1-3-13-33(14-4-1)35-17-11-19-37(29-35)55-45-32-46-44(31-43(45)39-25-27-49-51(53(39)55)41-21-7-9-23-47(41)57-49)40-26-28-50-52(42-22-8-10-24-48(42)58-50)54(40)56(46)38-20-12-18-36(30-38)34-15-5-2-6-16-34/h1-32H
InChIKeyGJFGCYHGNWZHNF-UHFFFAOYSA-N
XLogP15.01
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene with MolForge

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Related Compounds

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12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 126630971
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
11-(4-naphthalen-2-ylphenyl)-15-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
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3-(3-phenylphenyl)-15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one
CID 118248424
3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
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5-dibenzofuran-3-yl-7-[3-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
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3-dibenzofuran-1-yl-12-phenyl-11-(3-phenylphenyl)indolo[2,3-a]carbazole
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12-dibenzofuran-2-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
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11-[6-methyl-4-(3-phenylphenyl)cyclohexa-1,3-dien-1-yl]-15-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 163609727

Frequently Asked Questions

What is the IUPAC name of 17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene?
The IUPAC name of 17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene (CID 163583098) is 17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene.
What is the SMILES notation for 17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene?
The canonical SMILES for 17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene is c1ccc(-c2cccc(-n3c4cc5c(cc4c4ccc6oc7ccccc7c6c43)c3ccc4oc6ccccc6c4c3n5-c3cccc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene?
The InChIKey is GJFGCYHGNWZHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-3-13-33(14-4-1)35-17-11-19-37(29-35)55-45-32-46-44(31-43(45)39-25-27-49-51(53(39)55)41-21-7-9-23-47(41)57-49)40-26-28-50-52(42-22-8-10-24-48(42)58-50)54(40)56(46)38-20-12-18-36(30-38)34-15-5-2-6-16-34/h1-32H.
What are the key properties of 17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene?
17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene has a molecular weight of 740.86 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17,21-bis(3-phenylphenyl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene is sourced from PubChem (CID 163583098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).