3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole

C57H37NS — CID 87171646

IUPAC3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole
SMILESCc1cc2c(cc1-c1cccc3c1sc1ccccc13)c1ccccc1n2-c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C57H37NS/c1-36-34-53-51(35-50(36)49-23-13-22-48-43-17-10-12-25-54(43)59-57(48)49)42-16-9-11-24-52(42)58(53)41-32-30-38(31-33-41)37-26-28-40(29-27-37)56-46-20-7-5-18-44(46)55(39-14-3-2-4-15-39)45-19-6-8-21-47(45)56/h2-35H,1H3
InChIKeyOPPYPUMUHYMKNR-UHFFFAOYSA-N
MW768.00 g/mol
LogP16.43
Rot. Bonds5

About 3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole

3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole (PubChem CID 87171646) has the molecular formula C57H37NS and a molecular weight of 768.00 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole
PubChem CID87171646
Molecular FormulaC57H37NS
Molecular Weight768.00 g/mol
Exact Mass767.26
IUPAC Name3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole
SMILESCc1cc2c(cc1-c1cccc3c1sc1ccccc13)c1ccccc1n2-c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C57H37NS/c1-36-34-53-51(35-50(36)49-23-13-22-48-43-17-10-12-25-54(43)59-57(48)49)42-16-9-11-24-52(42)58(53)41-32-30-38(31-33-41)37-26-28-40(29-27-37)56-46-20-7-5-18-44(46)55(39-14-3-2-4-15-39)45-19-6-8-21-47(45)56/h2-35H,1H3
InChIKeyOPPYPUMUHYMKNR-UHFFFAOYSA-N
XLogP16.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.00
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156373
3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156604
5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156510
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
3-dibenzothiophen-4-yl-9-[2-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 158750427
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole
CID 87156566
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole
CID 162102218
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole (CID 87171646) is 3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole is Cc1cc2c(cc1-c1cccc3c1sc1ccccc13)c1ccccc1n2-c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole?
The InChIKey is OPPYPUMUHYMKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NS/c1-36-34-53-51(35-50(36)49-23-13-22-48-43-17-10-12-25-54(43)59-57(48)49)42-16-9-11-24-52(42)58(53)41-32-30-38(31-33-41)37-26-28-40(29-27-37)56-46-20-7-5-18-44(46)55(39-14-3-2-4-15-39)45-19-6-8-21-47(45)56/h2-35H,1H3.
What are the key properties of 3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole?
3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole has a molecular weight of 768.00 g/mol, XLogP of 16.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 87171646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).