7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene

C52H34OS — CID 163702754

IUPAC7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene
SMILESC1=Cc2ccc(-c3c4ccccc4c(-c4cccc(C5C=c6c(oc7c8sc9ccccc9c8c8ccccc8c67)=CC5)c4)c4ccccc34)cc2CC1
InChIInChI=1S/C52H34OS/c1-2-13-32-28-36(25-24-31(32)12-1)48-39-18-5-3-16-37(39)47(38-17-4-6-19-40(38)48)35-15-11-14-33(29-35)34-26-27-45-44(30-34)49-41-20-7-8-21-42(41)50-43-22-9-10-23-46(43)54-52(50)51(49)53-45/h1,3-12,14-25,27-30,34H,2,13,26H2
InChIKeyMRAKBBOQZPTQAE-UHFFFAOYSA-N
MW706.91 g/mol
LogP13.30
Rot. Bonds3

About 7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene

7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene (PubChem CID 163702754) has the molecular formula C52H34OS and a molecular weight of 706.91 g/mol. Its IUPAC name is 7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene.

Molecular Properties

Compound Name7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene
PubChem CID163702754
Molecular FormulaC52H34OS
Molecular Weight706.91 g/mol
Exact Mass706.23
IUPAC Name7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene
SMILESC1=Cc2ccc(-c3c4ccccc4c(-c4cccc(C5C=c6c(oc7c8sc9ccccc9c8c8ccccc8c67)=CC5)c4)c4ccccc34)cc2CC1
InChIInChI=1S/C52H34OS/c1-2-13-32-28-36(25-24-31(32)12-1)48-39-18-5-3-16-37(39)47(38-17-4-6-19-40(38)48)35-15-11-14-33(29-35)34-26-27-45-44(30-34)49-41-20-7-8-21-42(41)50-43-22-9-10-23-46(43)54-52(50)51(49)53-45/h1,3-12,14-25,27-30,34H,2,13,26H2
InChIKeyMRAKBBOQZPTQAE-UHFFFAOYSA-N
XLogP13.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.91
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene with MolForge

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Related Compounds

20-[5-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]cyclohexa-1,5-dien-1-yl]-24,24-dimethyl-3-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,22-decaene
CID 163559246
7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxa-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,8,11,13,15(23),17,19,21-decaene
CID 163899907
2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 88564469
14-(2,3-dihydrodibenzothiophen-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,9,12(27),13,15,17,20,22,25-undecaene
CID 163584283
2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 145436557
2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
CID 170011285
2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene
CID 89218133
5-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 122426117
3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine
CID 88554453
9-[4-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-1H-cyclopenta[b]naphthalen-9-yl]-1,2-dihydrodibenzothiophene
CID 146646759
9-(7,8-dihydronaphthalen-2-yl)-10-(6,7-dihydrophenanthren-9-yl)-2,3-dihydroanthracene
CID 123848237
17-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,15(20),16,18-nonaen-17-yl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 163588909

Frequently Asked Questions

What is the IUPAC name of 7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene?
The IUPAC name of 7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene (CID 163702754) is 7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene.
What is the SMILES notation for 7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene?
The canonical SMILES for 7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene is C1=Cc2ccc(-c3c4ccccc4c(-c4cccc(C5C=c6c(oc7c8sc9ccccc9c8c8ccccc8c67)=CC5)c4)c4ccccc34)cc2CC1.
What is the InChIKey of 7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene?
The InChIKey is MRAKBBOQZPTQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34OS/c1-2-13-32-28-36(25-24-31(32)12-1)48-39-18-5-3-16-37(39)47(38-17-4-6-19-40(38)48)35-15-11-14-33(29-35)34-26-27-45-44(30-34)49-41-20-7-8-21-42(41)50-43-22-9-10-23-46(43)54-52(50)51(49)53-45/h1,3-12,14-25,27-30,34H,2,13,26H2.
What are the key properties of 7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene?
7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene has a molecular weight of 706.91 g/mol, XLogP of 13.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,8,11,13,15,18,20,22-decaene is sourced from PubChem (CID 163702754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).