3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran

C41H28O — CID 174307214

IUPAC3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4coc5c4ccc4ccccc45)c4ccccc34)ccc21
InChIInChI=1S/C41H28O/c1-41(2)36-18-10-9-13-28(36)34-23-26(20-22-37(34)41)38-29-14-5-7-16-31(29)39(32-17-8-6-15-30(32)38)35-24-42-40-27-12-4-3-11-25(27)19-21-33(35)40/h3-24H,1-2H3
InChIKeyHFWSLXFZBDEPIQ-UHFFFAOYSA-N
MW536.67 g/mol
LogP11.53
Rot. Bonds2

About 3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran

3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran (PubChem CID 174307214) has the molecular formula C41H28O and a molecular weight of 536.67 g/mol. Its IUPAC name is 3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran.

Molecular Properties

Compound Name3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran
PubChem CID174307214
Molecular FormulaC41H28O
Molecular Weight536.67 g/mol
Exact Mass536.21
IUPAC Name3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4coc5c4ccc4ccccc45)c4ccccc34)ccc21
InChIInChI=1S/C41H28O/c1-41(2)36-18-10-9-13-28(36)34-23-26(20-22-37(34)41)38-29-14-5-7-16-31(29)39(32-17-8-6-15-30(32)38)35-24-42-40-27-12-4-3-11-25(27)19-21-33(35)40/h3-24H,1-2H3
InChIKeyHFWSLXFZBDEPIQ-UHFFFAOYSA-N
XLogP11.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190296
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 59196621
9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene
CID 156896767
11,11-dimethyl-3-(10-phenanthren-2-ylanthracen-9-yl)benzo[b]fluorene
CID 140724201
8-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-11,11-dimethylbenzo[a]fluorene
CID 140724296
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
11-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-3,3-dimethyl-14-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 130189632
3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 122426487
10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene
CID 162244977
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196012
3-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-11,11-dimethylbenzo[b]fluorene
CID 159143785
11,11-dimethyl-3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene
CID 140724986

Frequently Asked Questions

What is the IUPAC name of 3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran?
The IUPAC name of 3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran (CID 174307214) is 3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran.
What is the SMILES notation for 3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran?
The canonical SMILES for 3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4coc5c4ccc4ccccc45)c4ccccc34)ccc21.
What is the InChIKey of 3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran?
The InChIKey is HFWSLXFZBDEPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28O/c1-41(2)36-18-10-9-13-28(36)34-23-26(20-22-37(34)41)38-29-14-5-7-16-31(29)39(32-17-8-6-15-30(32)38)35-24-42-40-27-12-4-3-11-25(27)19-21-33(35)40/h3-24H,1-2H3.
What are the key properties of 3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran?
3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran has a molecular weight of 536.67 g/mol, XLogP of 11.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran is sourced from PubChem (CID 174307214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).