15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

C108H64N8O2 — CID 158227202

IUPAC15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5c(ccc6oc7ccccc7c65)c5ccc6c(c7ccccc7n6-c6ccc7ccccc7c6)c54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c4ccc4c6ccc7oc8ccccc8c7c6n(-c6ccc7ccccc7c6)c45)nc4ccccc34)cc2)cc1
InChIInChI=1S/2C54H32N4O/c1-2-12-33(13-3-1)35-22-24-36(25-23-35)51-41-16-6-9-19-44(41)55-54(56-51)58-45-20-10-7-17-42(45)49-46(58)30-28-39-40-29-31-48-50(43-18-8-11-21-47(43)59-48)53(40)57(52(39)49)38-27-26-34-14-4-5-15-37(34)32-38;1-2-12-33(13-3-1)35-22-24-36(25-23-35)51-41-16-6-9-19-44(41)55-54(56-51)58-52-39(40-29-31-48-50(53(40)58)43-18-8-11-21-47(43)59-48)28-30-46-49(52)42-17-7-10-20-45(42)57(46)38-27-26-34-14-4-5-15-37(34)32-38/h2*1-32H
InChIKeyGDXZJMREKUTQQA-UHFFFAOYSA-N
MW1505.75 g/mol
LogP28.42
Rot. Bonds8

About 15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (PubChem CID 158227202) has the molecular formula C108H64N8O2 and a molecular weight of 1505.75 g/mol. Its IUPAC name is 15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
PubChem CID158227202
Molecular FormulaC108H64N8O2
Molecular Weight1505.75 g/mol
Exact Mass1504.52
IUPAC Name15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5c(ccc6oc7ccccc7c65)c5ccc6c(c7ccccc7n6-c6ccc7ccccc7c6)c54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c4ccc4c6ccc7oc8ccccc8c7c6n(-c6ccc7ccccc7c6)c45)nc4ccccc34)cc2)cc1
InChIInChI=1S/2C54H32N4O/c1-2-12-33(13-3-1)35-22-24-36(25-23-35)51-41-16-6-9-19-44(41)55-54(56-51)58-45-20-10-7-17-42(45)49-46(58)30-28-39-40-29-31-48-50(43-18-8-11-21-47(43)59-48)53(40)57(52(39)49)38-27-26-34-14-4-5-15-37(34)32-38;1-2-12-33(13-3-1)35-22-24-36(25-23-35)51-41-16-6-9-19-44(41)55-54(56-51)58-52-39(40-29-31-48-50(53(40)58)43-18-8-11-21-47(43)59-48)28-30-46-49(52)42-17-7-10-20-45(42)57(46)38-27-26-34-14-4-5-15-37(34)32-38/h2*1-32H
InChIKeyGDXZJMREKUTQQA-UHFFFAOYSA-N
XLogP28.42
TPSA97.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms118
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001505.75
LogP ≤ 528.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The IUPAC name of 15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (CID 158227202) is 15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is c1ccc(-c2ccc(-c3nc(-n4c5c(ccc6oc7ccccc7c65)c5ccc6c(c7ccccc7n6-c6ccc7ccccc7c6)c54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c4ccc4c6ccc7oc8ccccc8c7c6n(-c6ccc7ccccc7c6)c45)nc4ccccc34)cc2)cc1.
What is the InChIKey of 15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The InChIKey is GDXZJMREKUTQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H32N4O/c1-2-12-33(13-3-1)35-22-24-36(25-23-35)51-41-16-6-9-19-44(41)55-54(56-51)58-45-20-10-7-17-42(45)49-46(58)30-28-39-40-29-31-48-50(43-18-8-11-21-47(43)59-48)53(40)57(52(39)49)38-27-26-34-14-4-5-15-37(34)32-38;1-2-12-33(13-3-1)35-22-24-36(25-23-35)51-41-16-6-9-19-44(41)55-54(56-51)58-52-39(40-29-31-48-50(53(40)58)43-18-8-11-21-47(43)59-48)28-30-46-49(52)42-17-7-10-20-45(42)57(46)38-27-26-34-14-4-5-15-37(34)32-38/h2*1-32H.
What are the key properties of 15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene has a molecular weight of 1505.75 g/mol, XLogP of 28.42, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 15-naphthalen-2-yl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 158227202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).