2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene

C54H32S2 — CID 144568506

IUPAC2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
SMILESc1ccc(-c2ccc3sc4ccc(-c5ccc6c7ccc(-c8ccc9sc%10ccc(-c%11ccccc%11)cc%10c9c8)cc7c7ccccc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C54H32S2/c1-3-9-33(10-4-1)35-17-23-51-47(29-35)49-31-39(19-25-53(49)55-51)37-15-21-43-44-22-16-38(28-46(44)42-14-8-7-13-41(42)45(43)27-37)40-20-26-54-50(32-40)48-30-36(18-24-52(48)56-54)34-11-5-2-6-12-34/h1-32H
InChIKeyVNCRLJRUAYYZNT-UHFFFAOYSA-N
MW744.98 g/mol
LogP16.55
Rot. Bonds4

About 2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene

2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene (PubChem CID 144568506) has the molecular formula C54H32S2 and a molecular weight of 744.98 g/mol. Its IUPAC name is 2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene.

Molecular Properties

Compound Name2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
PubChem CID144568506
Molecular FormulaC54H32S2
Molecular Weight744.98 g/mol
Exact Mass744.19
IUPAC Name2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
SMILESc1ccc(-c2ccc3sc4ccc(-c5ccc6c7ccc(-c8ccc9sc%10ccc(-c%11ccccc%11)cc%10c9c8)cc7c7ccccc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C54H32S2/c1-3-9-33(10-4-1)35-17-23-51-47(29-35)49-31-39(19-25-53(49)55-51)37-15-21-43-44-22-16-38(28-46(44)42-14-8-7-13-41(42)45(43)27-37)40-20-26-54-50(32-40)48-30-36(18-24-52(48)56-54)34-11-5-2-6-12-34/h1-32H
InChIKeyVNCRLJRUAYYZNT-UHFFFAOYSA-N
XLogP16.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
20-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-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 155006729
2,4-diphenyl-6-[8-[4-(4-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 149451405
N-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296596
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-triphenylen-2-ylaniline
CID 118214585
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
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-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene?
The IUPAC name of 2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene (CID 144568506) is 2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene.
What is the SMILES notation for 2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene?
The canonical SMILES for 2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene is c1ccc(-c2ccc3sc4ccc(-c5ccc6c7ccc(-c8ccc9sc%10ccc(-c%11ccccc%11)cc%10c9c8)cc7c7ccccc7c6c5)cc4c3c2)cc1.
What is the InChIKey of 2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene?
The InChIKey is VNCRLJRUAYYZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32S2/c1-3-9-33(10-4-1)35-17-23-51-47(29-35)49-31-39(19-25-53(49)55-51)37-15-21-43-44-22-16-38(28-46(44)42-14-8-7-13-41(42)45(43)27-37)40-20-26-54-50(32-40)48-30-36(18-24-52(48)56-54)34-11-5-2-6-12-34/h1-32H.
What are the key properties of 2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene?
2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene has a molecular weight of 744.98 g/mol, XLogP of 16.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene is sourced from PubChem (CID 144568506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).