(Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine

C51H34N2S — CID 145167560

IUPAC(Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine
SMILESN/C(=C\c1cccc2c1Cc1ccccc1-2)c1cccc(-c2ccc3c(c2)c2cc(-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccccc2)c1
InChIInChI=1S/C51H34N2S/c52-47(31-37-12-9-18-41-40-16-5-4-10-36(40)30-43(37)41)38-13-8-11-32(26-38)33-20-23-48-44(27-33)45-28-34(21-24-49(45)53(48)39-14-2-1-3-15-39)35-22-25-51-46(29-35)42-17-6-7-19-50(42)54-51/h1-29,31H,30,52H2/b47-31-
InChIKeyBIBXEVOYYCHRHC-OTXSHTBPSA-N
MW706.91 g/mol
LogP13.51
Rot. Bonds5

About (Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine

(Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine (PubChem CID 145167560) has the molecular formula C51H34N2S and a molecular weight of 706.91 g/mol. Its IUPAC name is (Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine.

Molecular Properties

Compound Name(Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine
PubChem CID145167560
Molecular FormulaC51H34N2S
Molecular Weight706.91 g/mol
Exact Mass706.24
IUPAC Name(Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine
SMILESN/C(=C\c1cccc2c1Cc1ccccc1-2)c1cccc(-c2ccc3c(c2)c2cc(-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccccc2)c1
InChIInChI=1S/C51H34N2S/c52-47(31-37-12-9-18-41-40-16-5-4-10-36(40)30-43(37)41)38-13-8-11-32(26-38)33-20-23-48-44(27-33)45-28-34(21-24-49(45)53(48)39-14-2-1-3-15-39)35-22-25-51-46(29-35)42-17-6-7-19-50(42)54-51/h1-29,31H,30,52H2/b47-31-
InChIKeyBIBXEVOYYCHRHC-OTXSHTBPSA-N
XLogP13.51
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.91
LogP ≤ 513.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine
CID 145167637
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole
CID 155000871
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
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
7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine?
The IUPAC name of (Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine (CID 145167560) is (Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine.
What is the SMILES notation for (Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine?
The canonical SMILES for (Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine is N/C(=C\c1cccc2c1Cc1ccccc1-2)c1cccc(-c2ccc3c(c2)c2cc(-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccccc2)c1.
What is the InChIKey of (Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine?
The InChIKey is BIBXEVOYYCHRHC-OTXSHTBPSA-N. The full InChI is InChI=1S/C51H34N2S/c52-47(31-37-12-9-18-41-40-16-5-4-10-36(40)30-43(37)41)38-13-8-11-32(26-38)33-20-23-48-44(27-33)45-28-34(21-24-49(45)53(48)39-14-2-1-3-15-39)35-22-25-51-46(29-35)42-17-6-7-19-50(42)54-51/h1-29,31H,30,52H2/b47-31-.
What are the key properties of (Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine?
(Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine has a molecular weight of 706.91 g/mol, XLogP of 13.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine is sourced from PubChem (CID 145167560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).