5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

C49H29NO2 — CID 71211364

IUPAC5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc2c(-c3cc4c5c(c3)Oc3cc(-c6cccc7ccccc67)cc6c3N5c3c(cc(-c5cccc7ccccc57)cc3O6)C4)cccc2c1
InChIInChI=1S/C49H29NO2/c1-4-16-37-29(10-1)13-7-19-40(37)32-22-35-24-36-23-33(41-20-8-14-30-11-2-5-17-38(30)41)26-44-48(36)50-47(35)43(25-32)51-45-27-34(28-46(52-44)49(45)50)42-21-9-15-31-12-3-6-18-39(31)42/h1-23,25-28H,24H2
InChIKeyOJYYBJGMQHZUCC-UHFFFAOYSA-N
MW663.78 g/mol
LogP13.73
Rot. Bonds3

About 5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 71211364) has the molecular formula C49H29NO2 and a molecular weight of 663.78 g/mol. Its IUPAC name is 5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID71211364
Molecular FormulaC49H29NO2
Molecular Weight663.78 g/mol
Exact Mass663.22
IUPAC Name5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc2c(-c3cc4c5c(c3)Oc3cc(-c6cccc7ccccc67)cc6c3N5c3c(cc(-c5cccc7ccccc57)cc3O6)C4)cccc2c1
InChIInChI=1S/C49H29NO2/c1-4-16-37-29(10-1)13-7-19-40(37)32-22-35-24-36-23-33(41-20-8-14-30-11-2-5-17-38(30)41)26-44-48(36)50-47(35)43(25-32)51-45-27-34(28-46(52-44)49(45)50)42-21-9-15-31-12-3-6-18-39(31)42/h1-23,25-28H,24H2
InChIKeyOJYYBJGMQHZUCC-UHFFFAOYSA-N
XLogP13.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

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CID 118219693
12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene
CID 129289170
4-bromo-2-naphthalen-1-yl-9H-fluorene
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1-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
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5-naphthalen-1-yl-17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 160511798
1-naphthalen-1-yl-9H-xanthene
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9-(7-naphthalen-1-yl-9H-fluoren-2-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
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1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
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Frequently Asked Questions

What is the IUPAC name of 5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 71211364) is 5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is c1ccc2c(-c3cc4c5c(c3)Oc3cc(-c6cccc7ccccc67)cc6c3N5c3c(cc(-c5cccc7ccccc57)cc3O6)C4)cccc2c1.
What is the InChIKey of 5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is OJYYBJGMQHZUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO2/c1-4-16-37-29(10-1)13-7-19-40(37)32-22-35-24-36-23-33(41-20-8-14-30-11-2-5-17-38(30)41)26-44-48(36)50-47(35)43(25-32)51-45-27-34(28-46(52-44)49(45)50)42-21-9-15-31-12-3-6-18-39(31)42/h1-23,25-28H,24H2.
What are the key properties of 5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 663.78 g/mol, XLogP of 13.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 71211364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).