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

C45H30O — CID 130189300

IUPAC3,3-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
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc3c(oc4c5ccccc5ccc34)c21
InChIInChI=1S/C45H30O/c1-45(2)38-23-13-12-22-35(38)41-37(26-36-34-25-24-27-14-6-7-17-29(27)43(34)46-44(36)42(41)45)40-32-20-10-8-18-30(32)39(28-15-4-3-5-16-28)31-19-9-11-21-33(31)40/h3-26H,1-2H3
InChIKeyWQRJWZLPDMJOGW-UHFFFAOYSA-N
MW586.73 g/mol
LogP12.69
Rot. Bonds2

About 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

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 (PubChem CID 130189300) has the molecular formula C45H30O and a molecular weight of 586.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,3-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
PubChem CID130189300
Molecular FormulaC45H30O
Molecular Weight586.73 g/mol
Exact Mass586.23
IUPAC Name3,3-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
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc3c(oc4c5ccccc5ccc34)c21
InChIInChI=1S/C45H30O/c1-45(2)38-23-13-12-22-35(38)41-37(26-36-34-25-24-27-14-6-7-17-29(27)43(34)46-44(36)42(41)45)40-32-20-10-8-18-30(32)39(28-15-4-3-5-16-28)31-19-9-11-21-33(31)40/h3-26H,1-2H3
InChIKeyWQRJWZLPDMJOGW-UHFFFAOYSA-N
XLogP12.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 512.69
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-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 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

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-7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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 130189512
10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran
CID 122426066
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
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
7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122427509
8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433286
7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
CID 130188697
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 135183312

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc3c(oc4c5ccccc5ccc34)c21.
What is the InChIKey of 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?
The InChIKey is WQRJWZLPDMJOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O/c1-45(2)38-23-13-12-22-35(38)41-37(26-36-34-25-24-27-14-6-7-17-29(27)43(34)46-44(36)42(41)45)40-32-20-10-8-18-30(32)39(28-15-4-3-5-16-28)31-19-9-11-21-33(31)40/h3-26H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 586.73 g/mol, XLogP of 12.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130189300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).