9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole

C48H32N2S — CID 90337088

IUPAC9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole
SMILESC1=CCC2C(=C1)c1ccccc1N2c1ccc(-c2cccc3c2sc2c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc23)cc1
InChIInChI=1S/C48H32N2S/c1-5-19-43-37(11-1)38-12-2-6-20-44(38)49(43)33-27-23-31(24-28-33)35-15-9-17-41-42-18-10-16-36(48(42)51-47(35)41)32-25-29-34(30-26-32)50-45-21-7-3-13-39(45)40-14-4-8-22-46(40)50/h1-21,23-30,46H,22H2
InChIKeyFTTVDSSVUDSHBJ-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.35
Rot. Bonds4

About 9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole

9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole (PubChem CID 90337088) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is 9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole
PubChem CID90337088
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC Name9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole
SMILESC1=CCC2C(=C1)c1ccccc1N2c1ccc(-c2cccc3c2sc2c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc23)cc1
InChIInChI=1S/C48H32N2S/c1-5-19-43-37(11-1)38-12-2-6-20-44(38)49(43)33-27-23-31(24-28-33)35-15-9-17-41-42-18-10-16-36(48(42)51-47(35)41)32-25-29-34(30-26-32)50-45-21-7-3-13-39(45)40-14-4-8-22-46(40)50/h1-21,23-30,46H,22H2
InChIKeyFTTVDSSVUDSHBJ-UHFFFAOYSA-N
XLogP13.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053
9-[4-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 169307270
5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
CID 126656177
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 58099686
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
9-[3,5-bis([1]benzothiolo[3,2-b][1]benzothiol-2-yl)phenyl]-3-(9-phenyl-1,9a-dihydrocarbazol-2-yl)carbazole
CID 163939166
2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole
CID 118315607

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole (CID 90337088) is 9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole is C1=CCC2C(=C1)c1ccccc1N2c1ccc(-c2cccc3c2sc2c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc23)cc1.
What is the InChIKey of 9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole?
The InChIKey is FTTVDSSVUDSHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-5-19-43-37(11-1)38-12-2-6-20-44(38)49(43)33-27-23-31(24-28-33)35-15-9-17-41-42-18-10-16-36(48(42)51-47(35)41)32-25-29-34(30-26-32)50-45-21-7-3-13-39(45)40-14-4-8-22-46(40)50/h1-21,23-30,46H,22H2.
What are the key properties of 9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole?
9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole has a molecular weight of 668.87 g/mol, XLogP of 13.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole is sourced from PubChem (CID 90337088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).