2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane

C47H41NS — CID 144578875

IUPAC2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane
SMILESC/C=C\c1sc2c3c(ccc2c1C)C(C)(C)c1cc(-n2c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc42)ccc1-3.CC
InChIInChI=1S/C45H35NS.C2H6/c1-5-12-42-28(2)34-23-24-38-43(44(34)47-42)37-22-19-33(27-39(37)45(38,3)4)46-40-25-31(29-13-8-6-9-14-29)17-20-35(40)36-21-18-32(26-41(36)46)30-15-10-7-11-16-30;1-2/h5-27H,1-4H3;1-2H3/b12-5-;
InChIKeyIOWNCKKYBNLEPI-UHPXVVQNSA-N
MW651.92 g/mol
LogP14.01
Rot. Bonds4

About 2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane

2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane (PubChem CID 144578875) has the molecular formula C47H41NS and a molecular weight of 651.92 g/mol. Its IUPAC name is 2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane.

Molecular Properties

Compound Name2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane
PubChem CID144578875
Molecular FormulaC47H41NS
Molecular Weight651.92 g/mol
Exact Mass651.30
IUPAC Name2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane
SMILESC/C=C\c1sc2c3c(ccc2c1C)C(C)(C)c1cc(-n2c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc42)ccc1-3.CC
InChIInChI=1S/C45H35NS.C2H6/c1-5-12-42-28(2)34-23-24-38-43(44(34)47-42)37-22-19-33(27-39(37)45(38,3)4)46-40-25-31(29-13-8-6-9-14-29)17-20-35(40)36-21-18-32(26-41(36)46)30-15-10-7-11-16-30;1-2/h5-27H,1-4H3;1-2H3/b12-5-;
InChIKeyIOWNCKKYBNLEPI-UHPXVVQNSA-N
XLogP14.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.92
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

9-[3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098909
9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole
CID 118098849
3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 160932250
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118098959
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89213136
7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 89213014
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 146187854
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
CID 118099086
9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 146617191

Frequently Asked Questions

What is the IUPAC name of 2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane?
The IUPAC name of 2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane (CID 144578875) is 2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane.
What is the SMILES notation for 2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane?
The canonical SMILES for 2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane is C/C=C\c1sc2c3c(ccc2c1C)C(C)(C)c1cc(-n2c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc42)ccc1-3.CC.
What is the InChIKey of 2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane?
The InChIKey is IOWNCKKYBNLEPI-UHPXVVQNSA-N. The full InChI is InChI=1S/C45H35NS.C2H6/c1-5-12-42-28(2)34-23-24-38-43(44(34)47-42)37-22-19-33(27-39(37)45(38,3)4)46-40-25-31(29-13-8-6-9-14-29)17-20-35(40)36-21-18-32(26-41(36)46)30-15-10-7-11-16-30;1-2/h5-27H,1-4H3;1-2H3/b12-5-;.
What are the key properties of 2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane?
2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane has a molecular weight of 651.92 g/mol, XLogP of 14.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenyl-9-[3,6,6-trimethyl-2-[(Z)-prop-1-enyl]indeno[2,1-g][1]benzothiol-8-yl]carbazole;ethane is sourced from PubChem (CID 144578875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).