5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran

C42H34OS — CID 90910495

IUPAC5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran
SMILESCC1C=CC=C2C(c3ccc(C4=CCCO4)s3)=c3ccccc3=C(c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)C21
InChIInChI=1S/C42H34OS/c1-25-12-10-18-31-38(25)41(29-16-7-6-15-28(29)40(31)37-22-21-36(44-37)35-20-11-23-43-35)32-24-34-39(27-14-5-4-13-26(27)32)30-17-8-9-19-33(30)42(34,2)3/h4-10,12-22,24-25,38H,11,23H2,1-3H3
InChIKeyTZWBLGRSYIEQAV-UHFFFAOYSA-N
MW586.80 g/mol
LogP9.13
Rot. Bonds3

About 5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran

5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran (PubChem CID 90910495) has the molecular formula C42H34OS and a molecular weight of 586.80 g/mol. Its IUPAC name is 5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran.

Molecular Properties

Compound Name5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran
PubChem CID90910495
Molecular FormulaC42H34OS
Molecular Weight586.80 g/mol
Exact Mass586.23
IUPAC Name5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran
SMILESCC1C=CC=C2C(c3ccc(C4=CCCO4)s3)=c3ccccc3=C(c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)C21
InChIInChI=1S/C42H34OS/c1-25-12-10-18-31-38(25)41(29-16-7-6-15-28(29)40(31)37-22-21-36(44-37)35-20-11-23-43-35)32-24-34-39(27-14-5-4-13-26(27)32)30-17-8-9-19-33(30)42(34,2)3/h4-10,12-22,24-25,38H,11,23H2,1-3H3
InChIKeyTZWBLGRSYIEQAV-UHFFFAOYSA-N
XLogP9.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.80
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-10-[10-[9,9-dimethyl-7-[10-(3-phenylphenyl)anthracen-9-yl]fluoren-2-yl]-4-methyl-4,4a-dihydroanthracen-9-yl]anthracene
CID 163884459
19-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724618
5-iodo-7,7-dimethylbenzo[c]fluorene
CID 144938890
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 123260279
4-(7,7-dimethylbenzo[c]fluoren-5-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167411777
9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene
CID 91600105
(7,7-dimethylbenzo[c]fluoren-5-yl) acetate
CID 67171677
9,9-dimethyl-2,3-dihydrofluorene
CID 123727902
2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140892174
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 134487924
7-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 134487829

Frequently Asked Questions

What is the IUPAC name of 5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran?
The IUPAC name of 5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran (CID 90910495) is 5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran.
What is the SMILES notation for 5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran?
The canonical SMILES for 5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran is CC1C=CC=C2C(c3ccc(C4=CCCO4)s3)=c3ccccc3=C(c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)C21.
What is the InChIKey of 5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran?
The InChIKey is TZWBLGRSYIEQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34OS/c1-25-12-10-18-31-38(25)41(29-16-7-6-15-28(29)40(31)37-22-21-36(44-37)35-20-11-23-43-35)32-24-34-39(27-14-5-4-13-26(27)32)30-17-8-9-19-33(30)42(34,2)3/h4-10,12-22,24-25,38H,11,23H2,1-3H3.
What are the key properties of 5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran?
5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran has a molecular weight of 586.80 g/mol, XLogP of 9.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methyl-4,4a-dihydroanthracen-9-yl]thiophen-2-yl]-2,3-dihydrofuran is sourced from PubChem (CID 90910495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).