9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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

C59H38O — CID 130213201

IUPAC9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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
SMILESCC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)ccc2-c2c1c1ccccc1c1c2oc2ccccc21
InChIInChI=1S/C59H38O/c1-59(2)51-34-36(30-31-49(51)56-57(59)48-26-12-11-25-46(48)55-50-27-13-14-29-52(50)60-58(55)56)38-32-33-47(40-20-6-5-19-39(38)40)54-44-23-9-7-21-42(44)53(43-22-8-10-24-45(43)54)41-28-15-17-35-16-3-4-18-37(35)41/h3-34H,1-2H3
InChIKeyOTVBMZRBDKNKGZ-UHFFFAOYSA-N
MW762.95 g/mol
LogP16.66
Rot. Bonds3

About 9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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

9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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 (PubChem CID 130213201) has the molecular formula C59H38O and a molecular weight of 762.95 g/mol. Its IUPAC name is 9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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.

Molecular Properties

Compound Name9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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
PubChem CID130213201
Molecular FormulaC59H38O
Molecular Weight762.95 g/mol
Exact Mass762.29
IUPAC Name9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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
SMILESCC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)ccc2-c2c1c1ccccc1c1c2oc2ccccc21
InChIInChI=1S/C59H38O/c1-59(2)51-34-36(30-31-49(51)56-57(59)48-26-12-11-25-46(48)55-50-27-13-14-29-52(50)60-58(55)56)38-32-33-47(40-20-6-5-19-39(38)40)54-44-23-9-7-21-42(44)53(43-22-8-10-24-45(43)54)41-28-15-17-35-16-3-4-18-37(35)41/h3-34H,1-2H3
InChIKeyOTVBMZRBDKNKGZ-UHFFFAOYSA-N
XLogP16.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.95
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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 with MolForge

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Related Compounds

21,21-dimethyl-18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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 158807784
18,18,21,21-tetramethyl-24-pyren-1-yl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 139476744
6-(9,9-dimethylfluoren-2-yl)-11-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran
CID 176777836
6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777650
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
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene
CID 163661774
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene
CID 130211750
23,23-dimethyl-20-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-oxahexacyclo[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 130211951
7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran
CID 122415730
17,17,34,34-tetramethyl-14,31-bis(4-naphthalen-1-ylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 142357653
18,18,21,21-tetramethyl-15-(10-phenylanthracen-9-yl)-24-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 139477794
6-[10-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163669126

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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?
The IUPAC name of 9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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 130213201) is 9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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.
What is the SMILES notation for 9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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?
The canonical SMILES for 9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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 is CC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)ccc2-c2c1c1ccccc1c1c2oc2ccccc21.
What is the InChIKey of 9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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?
The InChIKey is OTVBMZRBDKNKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38O/c1-59(2)51-34-36(30-31-49(51)56-57(59)48-26-12-11-25-46(48)55-50-27-13-14-29-52(50)60-58(55)56)38-32-33-47(40-20-6-5-19-39(38)40)54-44-23-9-7-21-42(44)53(43-22-8-10-24-45(43)54)41-28-15-17-35-16-3-4-18-37(35)41/h3-34H,1-2H3.
What are the key properties of 9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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?
9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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 has a molecular weight of 762.95 g/mol, XLogP of 16.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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 is sourced from PubChem (CID 130213201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).