16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene

C57H38 — CID 140934967

IUPAC16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc34)cc2-c2ccc3c4ccccc4c4ccccc4c3c21
InChIInChI=1S/C57H38/c1-57(2)52-31-28-40(34-51(52)50-30-29-49-43-20-6-5-18-41(43)42-19-7-8-21-44(42)55(49)56(50)57)54-47-24-11-9-22-45(47)53(46-23-10-12-25-48(46)54)39-17-13-16-37(33-39)38-27-26-35-14-3-4-15-36(35)32-38/h3-34H,1-2H3
InChIKeyWXXUKOPACZNNFD-UHFFFAOYSA-N
MW722.93 g/mol
LogP15.91
Rot. Bonds3

About 16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene

16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene (PubChem CID 140934967) has the molecular formula C57H38 and a molecular weight of 722.93 g/mol. Its IUPAC name is 16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene.

Molecular Properties

Compound Name16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
PubChem CID140934967
Molecular FormulaC57H38
Molecular Weight722.93 g/mol
Exact Mass722.30
IUPAC Name16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc34)cc2-c2ccc3c4ccccc4c4ccccc4c3c21
InChIInChI=1S/C57H38/c1-57(2)52-31-28-40(34-51(52)50-30-29-49-43-20-6-5-18-41(43)42-19-7-8-21-44(42)55(49)56(50)57)54-47-24-11-9-22-45(47)53(46-23-10-12-25-48(46)54)39-17-13-16-37(33-39)38-27-26-35-14-3-4-15-36(35)32-38/h3-34H,1-2H3
InChIKeyWXXUKOPACZNNFD-UHFFFAOYSA-N
XLogP15.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.93
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene with MolForge

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Related Compounds

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
4-[10-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 140724450
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
21,21-dimethyl-18-[10-(3-naphthalen-2-ylphenyl)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 160935676
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
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
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196012
3,3-dimethyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene
CID 130189757
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
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 161493004
5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene
CID 160895073

Frequently Asked Questions

What is the IUPAC name of 16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene?
The IUPAC name of 16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene (CID 140934967) is 16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene.
What is the SMILES notation for 16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene?
The canonical SMILES for 16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene is CC1(C)c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc34)cc2-c2ccc3c4ccccc4c4ccccc4c3c21.
What is the InChIKey of 16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene?
The InChIKey is WXXUKOPACZNNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38/c1-57(2)52-31-28-40(34-51(52)50-30-29-49-43-20-6-5-18-41(43)42-19-7-8-21-44(42)55(49)56(50)57)54-47-24-11-9-22-45(47)53(46-23-10-12-25-48(46)54)39-17-13-16-37(33-39)38-27-26-35-14-3-4-15-36(35)32-38/h3-34H,1-2H3.
What are the key properties of 16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene?
16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene has a molecular weight of 722.93 g/mol, XLogP of 15.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene is sourced from PubChem (CID 140934967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).