20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene

C52H32O2 — CID 130212360

IUPAC20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
SMILESc1cccc(-c2ccc3oc4c(c3c2)c2ccccc2c2oc3ccccc3c24)c2ccccc2c(-c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C52H32O2/c1-2-4-20-40(36-29-30-48-46(32-36)49-43-24-9-10-25-44(43)51-50(52(49)54-48)45-26-11-12-28-47(45)53-51)42-23-8-7-22-41(42)39(19-3-1)35-18-13-17-34(31-35)38-27-14-16-33-15-5-6-21-37(33)38/h1-32H/b2-1-,3-1-,4-2-,19-3+,20-4+,39-19+,40-20+,41-39+,42-40+
InChIKeyULRBJDDGPAFSCN-WDNHLQJBSA-N
MW688.83 g/mol
LogP15.07
Rot. Bonds3

About 20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene

20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene (PubChem CID 130212360) has the molecular formula C52H32O2 and a molecular weight of 688.83 g/mol. Its IUPAC name is 20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene.

Molecular Properties

Compound Name20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
PubChem CID130212360
Molecular FormulaC52H32O2
Molecular Weight688.83 g/mol
Exact Mass688.24
IUPAC Name20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
SMILESc1cccc(-c2ccc3oc4c(c3c2)c2ccccc2c2oc3ccccc3c24)c2ccccc2c(-c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C52H32O2/c1-2-4-20-40(36-29-30-48-46(32-36)49-43-24-9-10-25-44(43)51-50(52(49)54-48)45-26-11-12-28-47(45)53-51)42-23-8-7-22-41(42)39(19-3-1)35-18-13-17-34(31-35)38-27-14-16-33-15-5-6-21-37(33)38/h1-32H/b2-1-,3-1-,4-2-,19-3+,20-4+,39-19+,40-20+,41-39+,42-40+
InChIKeyULRBJDDGPAFSCN-WDNHLQJBSA-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 20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene with MolForge

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Related Compounds

5,18-dinaphthalen-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 118933534
5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 122426934
11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 88568977
20-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
CID 163723862
11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene
CID 90209334
5-[3-[10-naphthalen-1-yl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 163666366
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
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1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
17-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 146440204
10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene
CID 164741566
8-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433616
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628

Frequently Asked Questions

What is the IUPAC name of 20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene?
The IUPAC name of 20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene (CID 130212360) is 20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene.
What is the SMILES notation for 20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene?
The canonical SMILES for 20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene is c1cccc(-c2ccc3oc4c(c3c2)c2ccccc2c2oc3ccccc3c24)c2ccccc2c(-c2cccc(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene?
The InChIKey is ULRBJDDGPAFSCN-WDNHLQJBSA-N. The full InChI is InChI=1S/C52H32O2/c1-2-4-20-40(36-29-30-48-46(32-36)49-43-24-9-10-25-44(43)51-50(52(49)54-48)45-26-11-12-28-47(45)53-51)42-23-8-7-22-41(42)39(19-3-1)35-18-13-17-34(31-35)38-27-14-16-33-15-5-6-21-37(33)38/h1-32H/b2-1-,3-1-,4-2-,19-3+,20-4+,39-19+,40-20+,41-39+,42-40+.
What are the key properties of 20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene?
20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-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 20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 130212360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).