13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C54H34N2O — CID 129128880

IUPAC13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6cccc7ccccc67)c6oc7c8ccccc8ccc7c6n5)c4)c3)c2)cc1
InChIInChI=1S/C54H34N2O/c1-3-14-35(15-4-1)43-32-44(36-16-5-2-6-17-36)34-45(33-43)41-23-11-21-39(30-41)40-22-12-24-42(31-40)54-55-50(48-27-13-20-37-18-7-9-25-46(37)48)53-51(56-54)49-29-28-38-19-8-10-26-47(38)52(49)57-53/h1-34H
InChIKeyFAKDRPANCNZEKK-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.68
Rot. Bonds6

About 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 129128880) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID129128880
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6cccc7ccccc67)c6oc7c8ccccc8ccc7c6n5)c4)c3)c2)cc1
InChIInChI=1S/C54H34N2O/c1-3-14-35(15-4-1)43-32-44(36-16-5-2-6-17-36)34-45(33-43)41-23-11-21-39(30-41)40-22-12-24-42(31-40)54-55-50(48-27-13-20-37-18-7-9-25-46(37)48)53-51(56-54)49-29-28-38-19-8-10-26-47(38)52(49)57-53/h1-34H
InChIKeyFAKDRPANCNZEKK-UHFFFAOYSA-N
XLogP14.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Related Compounds

19-naphthalen-1-yl-17-[3-(3-phenylphenyl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 129128912
2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489845
19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 129128891
15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 170371568
19-phenyl-17-(3-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;19-phenyl-17-(4-phenylphenyl)-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(3-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 157285542
4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818364
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118229286
2,6-diphenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397354
13-naphthalen-1-yl-15-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 129128814
4-[3-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142294020
2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118229336
2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 123166635

Frequently Asked Questions

What is the IUPAC name of 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 129128880) is 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6cccc7ccccc67)c6oc7c8ccccc8ccc7c6n5)c4)c3)c2)cc1.
What is the InChIKey of 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is FAKDRPANCNZEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-14-35(15-4-1)43-32-44(36-16-5-2-6-17-36)34-45(33-43)41-23-11-21-39(30-41)40-22-12-24-42(31-40)54-55-50(48-27-13-20-37-18-7-9-25-46(37)48)53-51(56-54)49-29-28-38-19-8-10-26-47(38)52(49)57-53/h1-34H.
What are the key properties of 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 726.88 g/mol, XLogP of 14.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 129128880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).