6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene

C52H32O2 — CID 130212424

IUPAC6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
SMILESc1ccc(-c2ccc3cc(-c4ccccccc(-c5ccc6c(c5)oc5c7ccccc7c7oc8ccccc8c7c65)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C52H32O2/c1-2-7-17-40(38-28-29-46-48(32-38)54-52-44-21-11-10-20-43(44)51-49(50(46)52)45-22-12-13-23-47(45)53-51)42-19-9-8-18-41(42)39(16-6-1)37-27-26-35-30-34(24-25-36(35)31-37)33-14-4-3-5-15-33/h1-32H/b2-1-,6-1-,7-2-,16-6+,17-7+,39-16+,40-17+,41-39+,42-40+
InChIKeyIKGFVVWWBQSLGJ-XWGIQYMJSA-N
MW688.83 g/mol
LogP15.07
Rot. Bonds3

About 6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene

6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene (PubChem CID 130212424) has the molecular formula C52H32O2 and a molecular weight of 688.83 g/mol. Its IUPAC name is 6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
PubChem CID130212424
Molecular FormulaC52H32O2
Molecular Weight688.83 g/mol
Exact Mass688.24
IUPAC Name6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
SMILESc1ccc(-c2ccc3cc(-c4ccccccc(-c5ccc6c(c5)oc5c7ccccc7c7oc8ccccc8c7c65)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C52H32O2/c1-2-7-17-40(38-28-29-46-48(32-38)54-52-44-21-11-10-20-43(44)51-49(50(46)52)45-22-12-13-23-47(45)53-51)42-19-9-8-18-41(42)39(16-6-1)37-27-26-35-30-34(24-25-36(35)31-37)33-14-4-3-5-15-33/h1-32H/b2-1-,6-1-,7-2-,16-6+,17-7+,39-16+,40-17+,41-39+,42-40+
InChIKeyIKGFVVWWBQSLGJ-XWGIQYMJSA-N
XLogP15.07
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene with MolForge

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Related Compounds

6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 163460893
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
18-phenyl-5-(4-phenylnaphthalen-1-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 118933539
4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
11-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)naphtho[2,3-b][1]benzofuran
CID 176777762
2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 177130949
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853943
2-(6-phenylnaphthalen-2-yl)-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797808
2-[7-naphthalen-2-yl-3-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170092712
2-(4-naphthalen-2-ylphenyl)-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 177129892
4-[6-[3-[10-[3-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-2-yl]-18-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 135218995
4-(4-pyren-1-ylnaphthalen-1-yl)dibenzofuran;4-(6-pyren-1-ylnaphthalen-2-yl)dibenzofuran;4-[3-(4-pyren-1-ylphenyl)phenyl]dibenzofuran;4-[4-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 159155826

Frequently Asked Questions

What is the IUPAC name of 6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
The IUPAC name of 6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene (CID 130212424) is 6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
The canonical SMILES for 6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene is c1ccc(-c2ccc3cc(-c4ccccccc(-c5ccc6c(c5)oc5c7ccccc7c7oc8ccccc8c7c65)c5ccccc45)ccc3c2)cc1.
What is the InChIKey of 6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
The InChIKey is IKGFVVWWBQSLGJ-XWGIQYMJSA-N. The full InChI is InChI=1S/C52H32O2/c1-2-7-17-40(38-28-29-46-48(32-38)54-52-44-21-11-10-20-43(44)51-49(50(46)52)45-22-12-13-23-47(45)53-51)42-19-9-8-18-41(42)39(16-6-1)37-27-26-35-30-34(24-25-36(35)31-37)33-14-4-3-5-15-33/h1-32H/b2-1-,6-1-,7-2-,16-6+,17-7+,39-16+,40-17+,41-39+,42-40+.
What are the key properties of 6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene has a molecular weight of 688.83 g/mol, XLogP of 15.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 130212424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).