3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol

C41H28O2 — CID 170092914

IUPAC3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol
SMILESCC1CC=Cc2ccc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)c(O)c3c21
InChIInChI=1S/C41H28O2/c1-24-9-8-10-25-17-18-26-19-22-34(41(42)39(26)37(24)25)40-32-14-4-2-12-30(32)38(31-13-3-5-15-33(31)40)27-20-21-29-28-11-6-7-16-35(28)43-36(29)23-27/h2-8,10-24,42H,9H2,1H3
InChIKeyIAQANVMQFSNMFU-UHFFFAOYSA-N
MW552.67 g/mol
LogP11.61
Rot. Bonds2

About 3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol

3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol (PubChem CID 170092914) has the molecular formula C41H28O2 and a molecular weight of 552.67 g/mol. Its IUPAC name is 3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol.

Molecular Properties

Compound Name3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol
PubChem CID170092914
Molecular FormulaC41H28O2
Molecular Weight552.67 g/mol
Exact Mass552.21
IUPAC Name3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol
SMILESCC1CC=Cc2ccc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)c(O)c3c21
InChIInChI=1S/C41H28O2/c1-24-9-8-10-25-17-18-26-19-22-34(41(42)39(26)37(24)25)40-32-14-4-2-12-30(32)38(31-13-3-5-15-33(31)40)27-20-21-29-28-11-6-7-16-35(28)43-36(29)23-27/h2-8,10-24,42H,9H2,1H3
InChIKeyIAQANVMQFSNMFU-UHFFFAOYSA-N
XLogP11.61
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.67
LogP ≤ 511.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[10-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)anthracen-9-yl]dibenzofuran
CID 155475477
7-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425860
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene
CID 91435871
4-(10-naphthalen-2-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177264880
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
3-[10-(8,10-dihydropyren-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 134487753
3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran
CID 58991814
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
4-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177264998
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786

Frequently Asked Questions

What is the IUPAC name of 3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol?
The IUPAC name of 3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol (CID 170092914) is 3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol.
What is the SMILES notation for 3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol?
The canonical SMILES for 3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol is CC1CC=Cc2ccc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)c(O)c3c21.
What is the InChIKey of 3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol?
The InChIKey is IAQANVMQFSNMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28O2/c1-24-9-8-10-25-17-18-26-19-22-34(41(42)39(26)37(24)25)40-32-14-4-2-12-30(32)38(31-13-3-5-15-33(31)40)27-20-21-29-28-11-6-7-16-35(28)43-36(29)23-27/h2-8,10-24,42H,9H2,1H3.
What are the key properties of 3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol?
3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol has a molecular weight of 552.67 g/mol, XLogP of 11.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-dibenzofuran-3-ylanthracen-9-yl)-5-methyl-5,6-dihydrophenanthren-4-ol is sourced from PubChem (CID 170092914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).