2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene

C38H26S — CID 155028360

IUPAC2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene
SMILESC1=Cc2c(c(-c3ccccc3)c3ccccc3c2-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)CC1
InChIInChI=1S/C38H26S/c1-3-11-25(12-4-1)27-19-21-35-33(23-27)34-24-28(20-22-36(34)39-35)38-31-17-9-7-15-29(31)37(26-13-5-2-6-14-26)30-16-8-10-18-32(30)38/h1-7,9-15,17-24H,8,16H2
InChIKeyNDEQYVIOTPONGX-UHFFFAOYSA-N
MW514.69 g/mol
LogP11.17
Rot. Bonds3

About 2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene

2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene (PubChem CID 155028360) has the molecular formula C38H26S and a molecular weight of 514.69 g/mol. Its IUPAC name is 2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene.

Molecular Properties

Compound Name2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene
PubChem CID155028360
Molecular FormulaC38H26S
Molecular Weight514.69 g/mol
Exact Mass514.18
IUPAC Name2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene
SMILESC1=Cc2c(c(-c3ccccc3)c3ccccc3c2-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)CC1
InChIInChI=1S/C38H26S/c1-3-11-25(12-4-1)27-19-21-35-33(23-27)34-24-28(20-22-36(34)39-35)38-31-17-9-7-15-29(31)37(26-13-5-2-6-14-26)30-16-8-10-18-32(30)38/h1-7,9-15,17-24H,8,16H2
InChIKeyNDEQYVIOTPONGX-UHFFFAOYSA-N
XLogP11.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.69
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
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
3-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 146269874
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
2-phenyl-4-(10-phenyl-1,2-dihydroanthracen-9-yl)-2,3-dihydro-[1]benzothiolo[3,2-f][1]benzothiole
CID 174255439
2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 129305926
2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938
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
2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
19-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 153472144

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene?
The IUPAC name of 2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene (CID 155028360) is 2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene.
What is the SMILES notation for 2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene?
The canonical SMILES for 2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene is C1=Cc2c(c(-c3ccccc3)c3ccccc3c2-c2ccc3sc4ccc(-c5ccccc5)cc4c3c2)CC1.
What is the InChIKey of 2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene?
The InChIKey is NDEQYVIOTPONGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26S/c1-3-11-25(12-4-1)27-19-21-35-33(23-27)34-24-28(20-22-36(34)39-35)38-31-17-9-7-15-29(31)37(26-13-5-2-6-14-26)30-16-8-10-18-32(30)38/h1-7,9-15,17-24H,8,16H2.
What are the key properties of 2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene?
2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene has a molecular weight of 514.69 g/mol, XLogP of 11.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene is sourced from PubChem (CID 155028360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).