3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene

C55H40O — CID 163423948

IUPAC3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene
SMILESCC1(C)C2=CC=C(c3c4ccccc4c(C4=CC=C(c5ccccc5)C5C=CC=CC45)c4ccccc34)CC2c2ccc3cc4oc5ccccc5c4cc3c21
InChIInChI=1S/C55H40O/c1-55(2)49-29-25-35(30-47(49)45-26-24-34-31-51-48(32-46(34)54(45)55)39-18-12-13-23-50(39)56-51)52-40-19-8-10-21-42(40)53(43-22-11-9-20-41(43)52)44-28-27-36(33-14-4-3-5-15-33)37-16-6-7-17-38(37)44/h3-29,31-32,37-38,47H,30H2,1-2H3
InChIKeyISDGRVJJQJRHLT-UHFFFAOYSA-N
MW716.92 g/mol
LogP14.67
Rot. Bonds3

About 3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene

3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene (PubChem CID 163423948) has the molecular formula C55H40O and a molecular weight of 716.92 g/mol. Its IUPAC name is 3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene.

Molecular Properties

Compound Name3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene
PubChem CID163423948
Molecular FormulaC55H40O
Molecular Weight716.92 g/mol
Exact Mass716.31
IUPAC Name3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene
SMILESCC1(C)C2=CC=C(c3c4ccccc4c(C4=CC=C(c5ccccc5)C5C=CC=CC45)c4ccccc34)CC2c2ccc3cc4oc5ccccc5c4cc3c21
InChIInChI=1S/C55H40O/c1-55(2)49-29-25-35(30-47(49)45-26-24-34-31-51-48(32-46(34)54(45)55)39-18-12-13-23-50(39)56-51)52-40-19-8-10-21-42(40)53(43-22-11-9-20-41(43)52)44-28-27-36(33-14-4-3-5-15-33)37-16-6-7-17-38(37)44/h3-29,31-32,37-38,47H,30H2,1-2H3
InChIKeyISDGRVJJQJRHLT-UHFFFAOYSA-N
XLogP14.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.92
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene
CID 163742779
7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 130212408
20-[10-(5-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 163886915
19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
CID 167022277
19-(10-cyclohexa-1,3-dien-1-ylanthracen-9-yl)-23,23-dimethyl-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),19,21-decaene;20-[(2E,3E)-2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]-16,16-dimethyl-3-oxahexacyclo[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;22,22-dimethyl-18-(10-phenylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),18,20-decaene;9,9-dimethyl-11-(10-phenylanthracen-9-yl)-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene;16,16-dimethyl-20-(10-phenylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene;16,16-dimethyl-20-(10-phenylanthracen-9-yl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene;22,22-dimethyl-18-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;22,22-dimethyl-18-(10-phenyl-2,3-dihydroanthracen-9-yl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene;ethane
CID 163527879
2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine
CID 167032799
11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 90050914
7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,3-dimethyl-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 163540589
7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-22-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 130212616
9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130211829
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-9-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 163568883

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene?
The IUPAC name of 3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene (CID 163423948) is 3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene.
What is the SMILES notation for 3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene?
The canonical SMILES for 3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene is CC1(C)C2=CC=C(c3c4ccccc4c(C4=CC=C(c5ccccc5)C5C=CC=CC45)c4ccccc34)CC2c2ccc3cc4oc5ccccc5c4cc3c21.
What is the InChIKey of 3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene?
The InChIKey is ISDGRVJJQJRHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40O/c1-55(2)49-29-25-35(30-47(49)45-26-24-34-31-51-48(32-46(34)54(45)55)39-18-12-13-23-50(39)56-51)52-40-19-8-10-21-42(40)53(43-22-11-9-20-41(43)52)44-28-27-36(33-14-4-3-5-15-33)37-16-6-7-17-38(37)44/h3-29,31-32,37-38,47H,30H2,1-2H3.
What are the key properties of 3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene?
3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene has a molecular weight of 716.92 g/mol, XLogP of 14.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-7-[10-(4-phenyl-4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17,19,21-decaene is sourced from PubChem (CID 163423948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).