24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene

C55H36S — CID 130213367

IUPAC24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene
SMILESCC1(C)c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)cc2-c2c1c1sc3ccccc3c1c1ccccc21
InChIInChI=1S/C55H36S/c1-55(2)47-29-28-37(32-46(47)51-43-20-10-11-21-44(43)52-45-22-12-13-23-48(45)56-54(52)53(51)55)35-24-25-36-31-38(27-26-34(36)30-35)50-41-18-8-6-16-39(41)49(33-14-4-3-5-15-33)40-17-7-9-19-42(40)50/h3-32H,1-2H3
InChIKeyONYNAIHHWJCIDR-UHFFFAOYSA-N
MW728.96 g/mol
LogP15.97
Rot. Bonds3

About 24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene

24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene (PubChem CID 130213367) has the molecular formula C55H36S and a molecular weight of 728.96 g/mol. Its IUPAC name is 24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene.

Molecular Properties

Compound Name24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene
PubChem CID130213367
Molecular FormulaC55H36S
Molecular Weight728.96 g/mol
Exact Mass728.25
IUPAC Name24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene
SMILESCC1(C)c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)cc2-c2c1c1sc3ccccc3c1c1ccccc21
InChIInChI=1S/C55H36S/c1-55(2)47-29-28-37(32-46(47)51-43-20-10-11-21-44(43)52-45-22-12-13-23-48(45)56-54(52)53(51)55)35-24-25-36-31-38(27-26-34(36)30-35)50-41-18-8-6-16-39(41)49(33-14-4-3-5-15-33)40-17-7-9-19-42(40)50/h3-32H,1-2H3
InChIKeyONYNAIHHWJCIDR-UHFFFAOYSA-N
XLogP15.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.96
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene with MolForge

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Related Compounds

23,23-dimethyl-19-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene
CID 164704393
6-[9,9-dimethyl-6-(10-phenylanthracen-9-yl)fluoren-2-yl]-9,9-dimethyl-24-thiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 163881128
9,9-dimethyl-6-(10-phenylanthracen-9-yl)-24-thiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 130212026
23,23-dimethyl-19-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene
CID 167022397
23,23-dimethyl-19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
CID 130212285
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
15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene
CID 130212177
16,16-dimethyl-20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
CID 167022334
21,21-dimethyl-17-[10-(4-phenylphenyl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724573
21,21-dimethyl-17-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 159352968
17-(9,10-dinaphthalen-2-ylanthracen-2-yl)-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724653
7,7-dimethyl-10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 157086899

Frequently Asked Questions

What is the IUPAC name of 24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene?
The IUPAC name of 24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene (CID 130213367) is 24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene.
What is the SMILES notation for 24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene?
The canonical SMILES for 24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene is CC1(C)c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)cc2-c2c1c1sc3ccccc3c1c1ccccc21.
What is the InChIKey of 24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene?
The InChIKey is ONYNAIHHWJCIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36S/c1-55(2)47-29-28-37(32-46(47)51-43-20-10-11-21-44(43)52-45-22-12-13-23-48(45)56-54(52)53(51)55)35-24-25-36-31-38(27-26-34(36)30-35)50-41-18-8-6-16-39(41)49(33-14-4-3-5-15-33)40-17-7-9-19-42(40)50/h3-32H,1-2H3.
What are the key properties of 24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene?
24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene has a molecular weight of 728.96 g/mol, XLogP of 15.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24,24-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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(23),19,21-undecaene is sourced from PubChem (CID 130213367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).