9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C57H38O — CID 130186143

IUPAC9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)cc3)cc12
InChIInChI=1S/C57H38O/c1-57(2)50-26-13-12-25-47(50)54-51(57)32-31-46-49-34-48(40-19-6-11-24-45(40)55(49)58-56(46)54)36-27-29-37(30-28-36)52-41-20-7-9-22-43(41)53(44-23-10-8-21-42(44)52)39-18-14-17-38(33-39)35-15-4-3-5-16-35/h3-34H,1-2H3
InChIKeyWSQFCZOAAGXZCV-UHFFFAOYSA-N
MW738.93 g/mol
LogP16.02
Rot. Bonds4

About 9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 130186143) has the molecular formula C57H38O and a molecular weight of 738.93 g/mol. Its IUPAC name is 9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
PubChem CID130186143
Molecular FormulaC57H38O
Molecular Weight738.93 g/mol
Exact Mass738.29
IUPAC Name9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)cc3)cc12
InChIInChI=1S/C57H38O/c1-57(2)50-26-13-12-25-47(50)54-51(57)32-31-46-49-34-48(40-19-6-11-24-45(40)55(49)58-56(46)54)36-27-29-37(30-28-36)52-41-20-7-9-22-43(41)53(44-23-10-8-21-42(44)52)39-18-14-17-38(33-39)35-15-4-3-5-16-35/h3-34H,1-2H3
InChIKeyWSQFCZOAAGXZCV-UHFFFAOYSA-N
XLogP16.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 516.02
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-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

16-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-3,3-dimethyl-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186161
3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole
CID 118099217
7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122415883
16,16-dimethyl-14-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene
CID 130189541
3,3-dimethyl-11-(10-phenylanthracen-9-yl)-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene
CID 130189300
7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122427509
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185993

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 130186143) is 9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is CC1(C)c2ccccc2-c2c1ccc1c2oc2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)cc3)cc12.
What is the InChIKey of 9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The InChIKey is WSQFCZOAAGXZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38O/c1-57(2)50-26-13-12-25-47(50)54-51(57)32-31-46-49-34-48(40-19-6-11-24-45(40)55(49)58-56(46)54)36-27-29-37(30-28-36)52-41-20-7-9-22-43(41)53(44-23-10-8-21-42(44)52)39-18-14-17-38(33-39)35-15-4-3-5-16-35/h3-34H,1-2H3.
What are the key properties of 9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 738.93 g/mol, XLogP of 16.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 130186143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).