3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole

C54H36N2S — CID 166962846

IUPAC3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole
SMILESC1=C(n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc32)CC(c2ccc(-c3ccccc3)cc2)c2sc3ccccc3c21
InChIInChI=1S/C54H36N2S/c1-3-14-35(15-4-1)36-26-28-37(29-27-36)45-33-40(34-47-43-19-9-12-25-52(43)57-54(45)47)56-48-22-10-7-18-42(48)46-32-38(30-31-50(46)56)41-21-13-24-51-53(41)44-20-8-11-23-49(44)55(51)39-16-5-2-6-17-39/h1-32,34,45H,33H2
InChIKeyHDBVNBQJEPPXLA-UHFFFAOYSA-N
MW744.96 g/mol
LogP14.97
Rot. Bonds5

About 3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole

3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole (PubChem CID 166962846) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole
PubChem CID166962846
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC Name3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole
SMILESC1=C(n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc32)CC(c2ccc(-c3ccccc3)cc2)c2sc3ccccc3c21
InChIInChI=1S/C54H36N2S/c1-3-14-35(15-4-1)36-26-28-37(29-27-36)45-33-40(34-47-43-19-9-12-25-52(43)57-54(45)47)56-48-22-10-7-18-42(48)46-32-38(30-31-50(46)56)41-21-13-24-51-53(41)44-20-8-11-23-49(44)55(51)39-16-5-2-6-17-39/h1-32,34,45H,33H2
InChIKeyHDBVNBQJEPPXLA-UHFFFAOYSA-N
XLogP14.97
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
2-[9-(3-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510074
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 139319601

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole (CID 166962846) is 3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole is C1=C(n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc32)CC(c2ccc(-c3ccccc3)cc2)c2sc3ccccc3c21.
What is the InChIKey of 3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole?
The InChIKey is HDBVNBQJEPPXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-3-14-35(15-4-1)36-26-28-37(29-27-36)45-33-40(34-47-43-19-9-12-25-52(43)57-54(45)47)56-48-22-10-7-18-42(48)46-32-38(30-31-50(46)56)41-21-13-24-51-53(41)44-20-8-11-23-49(44)55(51)39-16-5-2-6-17-39/h1-32,34,45H,33H2.
What are the key properties of 3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole?
3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole has a molecular weight of 744.96 g/mol, XLogP of 14.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-4-yl)-9-[4-(4-phenylphenyl)-3,4-dihydrodibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 166962846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).