21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene

C70H44S2 — CID 146993823

IUPAC21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene
SMILESC1=Cc2c(c(-c3ccc4ccccc4c3)c3ccccc3c2-c2ccc3c(c2)sc2c4sc5c(c4c4ccccc4c32)CCC(c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)=C5)CC1
InChIInChI=1S/C70H44S2/c1-3-17-43-37-45(31-29-41(43)15-1)63-49-19-5-9-23-53(49)65(54-24-10-6-20-50(54)63)47-33-35-59-61(39-47)71-69-67(59)57-27-13-14-28-58(57)68-60-36-34-48(40-62(60)72-70(68)69)66-55-25-11-7-21-51(55)64(52-22-8-12-26-56(52)66)46-32-30-42-16-2-4-18-44(42)38-46/h1-7,9-21,23-32,34,36-40H,8,22,33,35H2
InChIKeyAQSBNBDKLLHRBW-UHFFFAOYSA-N
MW949.26 g/mol
LogP20.64
Rot. Bonds4

About 21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene

21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene (PubChem CID 146993823) has the molecular formula C70H44S2 and a molecular weight of 949.26 g/mol. Its IUPAC name is 21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene.

Molecular Properties

Compound Name21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene
PubChem CID146993823
Molecular FormulaC70H44S2
Molecular Weight949.26 g/mol
Exact Mass948.29
IUPAC Name21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene
SMILESC1=Cc2c(c(-c3ccc4ccccc4c3)c3ccccc3c2-c2ccc3c(c2)sc2c4sc5c(c4c4ccccc4c32)CCC(c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)=C5)CC1
InChIInChI=1S/C70H44S2/c1-3-17-43-37-45(31-29-41(43)15-1)63-49-19-5-9-23-53(49)65(54-24-10-6-20-50(54)63)47-33-35-59-61(39-47)71-69-67(59)57-27-13-14-28-58(57)68-60-36-34-48(40-62(60)72-70(68)69)66-55-25-11-7-21-51(55)64(52-22-8-12-26-56(52)66)46-32-30-42-16-2-4-18-44(42)38-46/h1-7,9-21,23-32,34,36-40H,8,22,33,35H2
InChIKeyAQSBNBDKLLHRBW-UHFFFAOYSA-N
XLogP20.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.26
LogP ≤ 520.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene with MolForge

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Related Compounds

3-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 146269874
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
5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
CID 143811534
3-[12-(6,7-dihydrodibenzothiophen-3-yl)tetracen-5-yl]dibenzothiophene
CID 89016439
18-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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 118503594
18-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-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;18-[3-(10-phenylanthracen-9-yl)phenyl]-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 159007418
21,21-dimethyl-18-(10-naphthalen-2-ylanthracen-9-yl)-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene
CID 130212059
2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 155028360
4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene
CID 146670353
6-(10-naphthalen-2-ylanthracen-9-yl)-18-(10-phenylanthracen-9-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182796
9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole
CID 166689866
7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 163919347

Frequently Asked Questions

What is the IUPAC name of 21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene?
The IUPAC name of 21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene (CID 146993823) is 21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene.
What is the SMILES notation for 21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene?
The canonical SMILES for 21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene is C1=Cc2c(c(-c3ccc4ccccc4c3)c3ccccc3c2-c2ccc3c(c2)sc2c4sc5c(c4c4ccccc4c32)CCC(c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)=C5)CC1.
What is the InChIKey of 21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene?
The InChIKey is AQSBNBDKLLHRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44S2/c1-3-17-43-37-45(31-29-41(43)15-1)63-49-19-5-9-23-53(49)65(54-24-10-6-20-50(54)63)47-33-35-59-61(39-47)71-69-67(59)57-27-13-14-28-58(57)68-60-36-34-48(40-62(60)72-70(68)69)66-55-25-11-7-21-51(55)64(52-22-8-12-26-56(52)66)46-32-30-42-16-2-4-18-44(42)38-46/h1-7,9-21,23-32,34,36-40H,8,22,33,35H2.
What are the key properties of 21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene?
21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene has a molecular weight of 949.26 g/mol, XLogP of 20.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene is sourced from PubChem (CID 146993823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).