5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole

C45H33NS — CID 90051038

IUPAC5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2C2=Cc3c(c4ccc(-c5ccccc5)cc4n3-c3ccc(-c4cccc5c4sc4ccccc45)cc3)CC21
InChIInChI=1S/C45H33NS/c1-45(2)39-17-8-6-13-33(39)37-27-42-38(26-40(37)45)34-24-21-30(28-11-4-3-5-12-28)25-41(34)46(42)31-22-19-29(20-23-31)32-15-10-16-36-35-14-7-9-18-43(35)47-44(32)36/h3-25,27,40H,26H2,1-2H3
InChIKeyWTCHJTUFBBDQJM-UHFFFAOYSA-N
MW619.83 g/mol
LogP12.34
Rot. Bonds3

About 5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole

5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole (PubChem CID 90051038) has the molecular formula C45H33NS and a molecular weight of 619.83 g/mol. Its IUPAC name is 5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole
PubChem CID90051038
Molecular FormulaC45H33NS
Molecular Weight619.83 g/mol
Exact Mass619.23
IUPAC Name5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2C2=Cc3c(c4ccc(-c5ccccc5)cc4n3-c3ccc(-c4cccc5c4sc4ccccc45)cc3)CC21
InChIInChI=1S/C45H33NS/c1-45(2)39-17-8-6-13-33(39)37-27-42-38(26-40(37)45)34-24-21-30(28-11-4-3-5-12-28)25-41(34)46(42)31-22-19-29(20-23-31)32-15-10-16-36-35-14-7-9-18-43(35)47-44(32)36/h3-25,27,40H,26H2,1-2H3
InChIKeyWTCHJTUFBBDQJM-UHFFFAOYSA-N
XLogP12.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.83
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole with MolForge

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Related Compounds

N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 144661781
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
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
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
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;9-phenyl-3-triphenylen-2-ylcarbazole;9-(3-triphenylen-2-ylphenyl)carbazole
CID 160956728
2-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 118013996
5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole?
The IUPAC name of 5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole (CID 90051038) is 5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole.
What is the SMILES notation for 5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole?
The canonical SMILES for 5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole is CC1(C)c2ccccc2C2=Cc3c(c4ccc(-c5ccccc5)cc4n3-c3ccc(-c4cccc5c4sc4ccccc45)cc3)CC21.
What is the InChIKey of 5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole?
The InChIKey is WTCHJTUFBBDQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NS/c1-45(2)39-17-8-6-13-33(39)37-27-42-38(26-40(37)45)34-24-21-30(28-11-4-3-5-12-28)25-41(34)46(42)31-22-19-29(20-23-31)32-15-10-16-36-35-14-7-9-18-43(35)47-44(32)36/h3-25,27,40H,26H2,1-2H3.
What are the key properties of 5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole?
5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole has a molecular weight of 619.83 g/mol, XLogP of 12.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzothiophen-4-ylphenyl)-11,11-dimethyl-3-phenyl-11a,12-dihydroindeno[1,2-b]carbazole is sourced from PubChem (CID 90051038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).