3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole

C50H40N2S — CID 170277812

IUPAC3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole
SMILESCC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)sc5ccccc56)ccc43)ccc21
InChIInChI=1S/C50H40N2S/c1-49(2)25-26-50(3,4)42-29-33(20-22-41(42)49)51-43-14-8-5-11-35(43)39-27-31(17-23-45(39)51)32-18-24-46-40(28-32)36-12-6-9-15-44(36)52(46)34-19-21-38-37-13-7-10-16-47(37)53-48(38)30-34/h5-24,27-30H,25-26H2,1-4H3
InChIKeyFZQMZASYKKBDKZ-UHFFFAOYSA-N
MW700.95 g/mol
LogP14.26
Rot. Bonds3

About 3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole

3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole (PubChem CID 170277812) has the molecular formula C50H40N2S and a molecular weight of 700.95 g/mol. Its IUPAC name is 3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole.

Molecular Properties

Compound Name3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole
PubChem CID170277812
Molecular FormulaC50H40N2S
Molecular Weight700.95 g/mol
Exact Mass700.29
IUPAC Name3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole
SMILESCC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)sc5ccccc56)ccc43)ccc21
InChIInChI=1S/C50H40N2S/c1-49(2)25-26-50(3,4)42-29-33(20-22-41(42)49)51-43-14-8-5-11-35(43)39-27-31(17-23-45(39)51)32-18-24-46-40(28-32)36-12-6-9-15-44(36)52(46)34-19-21-38-37-13-7-10-16-47(37)53-48(38)30-34/h5-24,27-30H,25-26H2,1-4H3
InChIKeyFZQMZASYKKBDKZ-UHFFFAOYSA-N
XLogP14.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.95
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
[3-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
CID 177285407
3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
CID 170279316
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425
CID 144619443
CID 144619443
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
CID 174138943
CID 174138943
3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole
CID 170277828
3-[9-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-9-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118099006
24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177086967

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole?
The IUPAC name of 3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole (CID 170277812) is 3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole.
What is the SMILES notation for 3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole?
The canonical SMILES for 3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole is CC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)sc5ccccc56)ccc43)ccc21.
What is the InChIKey of 3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole?
The InChIKey is FZQMZASYKKBDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2S/c1-49(2)25-26-50(3,4)42-29-33(20-22-41(42)49)51-43-14-8-5-11-35(43)39-27-31(17-23-45(39)51)32-18-24-46-40(28-32)36-12-6-9-15-44(36)52(46)34-19-21-38-37-13-7-10-16-47(37)53-48(38)30-34/h5-24,27-30H,25-26H2,1-4H3.
What are the key properties of 3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole?
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole has a molecular weight of 700.95 g/mol, XLogP of 14.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole is sourced from PubChem (CID 170277812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).