10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene

C50H32O — CID 122629635

IUPAC10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESc1ccc(-c2ccc3cc(-c4ccc5c(c4)-c4ccccc4-c4cc(-c6ccc7cc(-c8ccccc8)ccc7c6)ccc4O5)ccc3c2)cc1
InChIInChI=1S/C50H32O/c1-3-9-33(10-4-1)35-15-17-39-29-41(21-19-37(39)27-35)43-23-25-49-47(31-43)45-13-7-8-14-46(45)48-32-44(24-26-50(48)51-49)42-22-20-38-28-36(16-18-40(38)30-42)34-11-5-2-6-12-34/h1-32H
InChIKeyZIOBKGKJEHAEPJ-UHFFFAOYSA-N
MW648.81 g/mol
LogP14.10
Rot. Bonds4

About 10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene

10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene (PubChem CID 122629635) has the molecular formula C50H32O and a molecular weight of 648.81 g/mol. Its IUPAC name is 10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene.

Molecular Properties

Compound Name10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
PubChem CID122629635
Molecular FormulaC50H32O
Molecular Weight648.81 g/mol
Exact Mass648.25
IUPAC Name10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESc1ccc(-c2ccc3cc(-c4ccc5c(c4)-c4ccccc4-c4cc(-c6ccc7cc(-c8ccccc8)ccc7c6)ccc4O5)ccc3c2)cc1
InChIInChI=1S/C50H32O/c1-3-9-33(10-4-1)35-15-17-39-29-41(21-19-37(39)27-35)43-23-25-49-47(31-43)45-13-7-8-14-46(45)48-32-44(24-26-50(48)51-49)42-22-20-38-28-36(16-18-40(38)30-42)34-11-5-2-6-12-34/h1-32H
InChIKeyZIOBKGKJEHAEPJ-UHFFFAOYSA-N
XLogP14.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene with MolForge

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine
CID 164937187
6-(6-naphthalen-2-ylnaphthalen-2-yl)-11-phenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
CID 90336884
N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8(13),9,11,15,17,19,21-undecaen-10-amine
CID 176598100
3,12-diphenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaene
CID 118860586
2-[4-(4-naphthalen-2-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl]-4,6-diphenyl-1,3,5-triazine
CID 170183075
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine
CID 170183169
10-(9,9-dimethylfluoren-2-yl)-18-naphthalen-2-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 139373027
4-phenyl-11-pyren-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171045749
6-benzo[a]anthracen-10-yl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
CID 171044766
6-(6-phenanthren-2-ylnaphthalen-2-yl)-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
CID 90065769
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine
CID 176598412

Frequently Asked Questions

What is the IUPAC name of 10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The IUPAC name of 10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene (CID 122629635) is 10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene.
What is the SMILES notation for 10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The canonical SMILES for 10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene is c1ccc(-c2ccc3cc(-c4ccc5c(c4)-c4ccccc4-c4cc(-c6ccc7cc(-c8ccccc8)ccc7c6)ccc4O5)ccc3c2)cc1.
What is the InChIKey of 10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The InChIKey is ZIOBKGKJEHAEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32O/c1-3-9-33(10-4-1)35-15-17-39-29-41(21-19-37(39)27-35)43-23-25-49-47(31-43)45-13-7-8-14-46(45)48-32-44(24-26-50(48)51-49)42-22-20-38-28-36(16-18-40(38)30-42)34-11-5-2-6-12-34/h1-32H.
What are the key properties of 10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene has a molecular weight of 648.81 g/mol, XLogP of 14.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene is sourced from PubChem (CID 122629635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).