4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene

C43H32S — CID 146670353

IUPAC4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene
SMILESC1=Cc2c(c(-c3ccc4c(c3)CC4)c3ccccc3c2-c2ccc(-c3ccc4sc5c(c4c3)CC=C3CCC3=C5)cc2)CC1
InChIInChI=1S/C43H32S/c1-3-7-37-35(5-1)42(36-6-2-4-8-38(36)43(37)33-18-13-26-11-16-30(26)23-33)29-14-9-27(10-15-29)31-20-22-40-39(24-31)34-21-19-28-12-17-32(28)25-41(34)44-40/h1-3,5-7,9-10,13-15,18-20,22-25H,4,8,11-12,16-17,21H2
InChIKeyKZUGGFKULMTZCS-UHFFFAOYSA-N
MW580.80 g/mol
LogP11.77
Rot. Bonds3

About 4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene

4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene (PubChem CID 146670353) has the molecular formula C43H32S and a molecular weight of 580.80 g/mol. Its IUPAC name is 4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene.

Molecular Properties

Compound Name4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene
PubChem CID146670353
Molecular FormulaC43H32S
Molecular Weight580.80 g/mol
Exact Mass580.22
IUPAC Name4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene
SMILESC1=Cc2c(c(-c3ccc4c(c3)CC4)c3ccccc3c2-c2ccc(-c3ccc4sc5c(c4c3)CC=C3CCC3=C5)cc2)CC1
InChIInChI=1S/C43H32S/c1-3-7-37-35(5-1)42(36-6-2-4-8-38(36)43(37)33-18-13-26-11-16-30(26)23-33)29-14-9-27(10-15-29)31-20-22-40-39(24-31)34-21-19-28-12-17-32(28)25-41(34)44-40/h1-3,5-7,9-10,13-15,18-20,22-25H,4,8,11-12,16-17,21H2
InChIKeyKZUGGFKULMTZCS-UHFFFAOYSA-N
XLogP11.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.80
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene with MolForge

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Related Compounds

2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 155028360
2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane
CID 142424800
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
9-[4-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-1H-cyclopenta[b]naphthalen-9-yl]-1,2-dihydrodibenzothiophene
CID 146646759
21-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),21-decaene
CID 146993823
3-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 146269874
2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine
CID 166690149
dimethyl-methylidene-[4-[10-(4-phenylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]-λ5-phosphane
CID 166895339
17-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,15(20),16,18-nonaen-17-yl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 163588909
10-methyl-9-(4-methylphenyl)-1,2-dihydroanthracene
CID 143123986
7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane
CID 153332774
8,8,14,14-tetramethyl-5-phenyl-17-(10-phenyl-3,4-dihydroanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 70886167

Frequently Asked Questions

What is the IUPAC name of 4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene?
The IUPAC name of 4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene (CID 146670353) is 4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene.
What is the SMILES notation for 4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene?
The canonical SMILES for 4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene is C1=Cc2c(c(-c3ccc4c(c3)CC4)c3ccccc3c2-c2ccc(-c3ccc4sc5c(c4c3)CC=C3CCC3=C5)cc2)CC1.
What is the InChIKey of 4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene?
The InChIKey is KZUGGFKULMTZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32S/c1-3-7-37-35(5-1)42(36-6-2-4-8-38(36)43(37)33-18-13-26-11-16-30(26)23-33)29-14-9-27(10-15-29)31-20-22-40-39(24-31)34-21-19-28-12-17-32(28)25-41(34)44-40/h1-3,5-7,9-10,13-15,18-20,22-25H,4,8,11-12,16-17,21H2.
What are the key properties of 4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene?
4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene has a molecular weight of 580.80 g/mol, XLogP of 11.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene is sourced from PubChem (CID 146670353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).