8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline

C108H64N4S4 — CID 157311899

IUPAC8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline
SMILESc1ccc(-c2ccc3sc4c(-c5cccc(-c6ncnc7c6ccc6cc(-c8cccc(-c9cccc%10c9sc9ccccc9%10)c8)ccc67)c5)cccc4c3c2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ncnc6c5ccc5cc(-c7cccc(-c8cccc9c8sc8ccccc89)c7)ccc56)c4)cccc23)cc1
InChIInChI=1S/2C54H32N2S2/c1-2-11-33(12-3-1)41-18-8-22-46-47-23-10-20-43(54(47)58-53(41)46)37-15-7-16-39(31-37)50-48-28-26-38-30-35(25-27-40(38)51(48)56-32-55-50)34-13-6-14-36(29-34)42-19-9-21-45-44-17-4-5-24-49(44)57-52(42)45;1-2-10-33(11-3-1)36-24-27-50-48(31-36)46-20-9-18-43(54(46)58-50)38-14-7-15-40(30-38)51-47-26-23-39-29-35(22-25-41(39)52(47)56-32-55-51)34-12-6-13-37(28-34)42-17-8-19-45-44-16-4-5-21-49(44)57-53(42)45/h2*1-32H
InChIKeyBDDCTFSRNIVCKV-UHFFFAOYSA-N
MW1546.00 g/mol
LogP31.71
Rot. Bonds10

About 8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline

8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline (PubChem CID 157311899) has the molecular formula C108H64N4S4 and a molecular weight of 1546.00 g/mol. Its IUPAC name is 8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline.

Molecular Properties

Compound Name8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline
PubChem CID157311899
Molecular FormulaC108H64N4S4
Molecular Weight1546.00 g/mol
Exact Mass1544.40
IUPAC Name8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline
SMILESc1ccc(-c2ccc3sc4c(-c5cccc(-c6ncnc7c6ccc6cc(-c8cccc(-c9cccc%10c9sc9ccccc9%10)c8)ccc67)c5)cccc4c3c2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ncnc6c5ccc5cc(-c7cccc(-c8cccc9c8sc8ccccc89)c7)ccc56)c4)cccc23)cc1
InChIInChI=1S/2C54H32N2S2/c1-2-11-33(12-3-1)41-18-8-22-46-47-23-10-20-43(54(47)58-53(41)46)37-15-7-16-39(31-37)50-48-28-26-38-30-35(25-27-40(38)51(48)56-32-55-50)34-13-6-14-36(29-34)42-19-9-21-45-44-17-4-5-24-49(44)57-52(42)45;1-2-10-33(11-3-1)36-24-27-50-48(31-36)46-20-9-18-43(54(46)58-50)38-14-7-15-40(30-38)51-47-26-23-39-29-35(22-25-41(39)52(47)56-32-55-51)34-12-6-13-37(28-34)42-17-8-19-45-44-16-4-5-21-49(44)57-53(42)45/h2*1-32H
InChIKeyBDDCTFSRNIVCKV-UHFFFAOYSA-N
XLogP31.71
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001546.00
LogP ≤ 531.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline with MolForge

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Related Compounds

4,8-bis(3-dibenzothiophen-4-ylphenyl)benzo[h]quinazoline
CID 155793761
8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 129291457
4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485304
4-(3-dibenzothiophen-4-ylphenyl)-8-[3-phenyl-5-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 170655080
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 155329887
4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine
CID 158243456
4-(4-dibenzothiophen-4-ylphenyl)-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578991
4-(4-dibenzothiophen-4-ylphenyl)-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485325
4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578992
2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235

Frequently Asked Questions

What is the IUPAC name of 8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline?
The IUPAC name of 8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline (CID 157311899) is 8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline.
What is the SMILES notation for 8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline?
The canonical SMILES for 8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline is c1ccc(-c2ccc3sc4c(-c5cccc(-c6ncnc7c6ccc6cc(-c8cccc(-c9cccc%10c9sc9ccccc9%10)c8)ccc67)c5)cccc4c3c2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ncnc6c5ccc5cc(-c7cccc(-c8cccc9c8sc8ccccc89)c7)ccc56)c4)cccc23)cc1.
What is the InChIKey of 8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline?
The InChIKey is BDDCTFSRNIVCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H32N2S2/c1-2-11-33(12-3-1)41-18-8-22-46-47-23-10-20-43(54(47)58-53(41)46)37-15-7-16-39(31-37)50-48-28-26-38-30-35(25-27-40(38)51(48)56-32-55-50)34-13-6-14-36(29-34)42-19-9-21-45-44-17-4-5-24-49(44)57-52(42)45;1-2-10-33(11-3-1)36-24-27-50-48(31-36)46-20-9-18-43(54(46)58-50)38-14-7-15-40(30-38)51-47-26-23-39-29-35(22-25-41(39)52(47)56-32-55-51)34-12-6-13-37(28-34)42-17-8-19-45-44-16-4-5-21-49(44)57-53(42)45/h2*1-32H.
What are the key properties of 8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline?
8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline has a molecular weight of 1546.00 g/mol, XLogP of 31.71, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(8-phenyldibenzothiophen-4-yl)phenyl]benzo[h]quinazoline is sourced from PubChem (CID 157311899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).