CID 144619443

C48H30N2S4 — CID 144619443

IUPAC—
SMILESSS.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)cc12
InChIInChI=1S/C48H28N2S2.H2S2/c1-5-13-41-33(9-1)37-25-29(17-21-43(37)49(41)31-19-23-47-39(27-31)35-11-3-7-15-45(35)51-47)30-18-22-44-38(26-30)34-10-2-6-14-42(34)50(44)32-20-24-48-40(28-32)36-12-4-8-16-46(36)52-48;1-2/h1-28H;1-2H
InChIKeyZAKSDVRSJKKOCI-UHFFFAOYSA-N
MW763.05 g/mol
LogP15.04
Rot. Bonds3

About CID 144619443

CID 144619443 (PubChem CID 144619443) has the molecular formula C48H30N2S4 and a molecular weight of 763.05 g/mol.

Molecular Properties

Compound NameCID 144619443
PubChem CID144619443
Molecular FormulaC48H30N2S4
Molecular Weight763.05 g/mol
Exact Mass762.13
IUPAC Name—
SMILESSS.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)cc12
InChIInChI=1S/C48H28N2S2.H2S2/c1-5-13-41-33(9-1)37-25-29(17-21-43(37)49(41)31-19-23-47-39(27-31)35-11-3-7-15-45(35)51-47)30-18-22-44-38(26-30)34-10-2-6-14-42(34)50(44)32-20-24-48-40(28-32)36-12-4-8-16-46(36)52-48;1-2/h1-28H;1-2H
InChIKeyZAKSDVRSJKKOCI-UHFFFAOYSA-N
XLogP15.04
TPSA9.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.05
LogP ≤ 515.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazole;ethane;methanethiol
CID 144644614
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
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
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole
CID 71232544

Frequently Asked Questions

What is the IUPAC name of CID 144619443?
The IUPAC name of CID 144619443 (CID 144619443) is not available.
What is the SMILES notation for CID 144619443?
The canonical SMILES for CID 144619443 is SS.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)cc12.
What is the InChIKey of CID 144619443?
The InChIKey is ZAKSDVRSJKKOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2S2.H2S2/c1-5-13-41-33(9-1)37-25-29(17-21-43(37)49(41)31-19-23-47-39(27-31)35-11-3-7-15-45(35)51-47)30-18-22-44-38(26-30)34-10-2-6-14-42(34)50(44)32-20-24-48-40(28-32)36-12-4-8-16-46(36)52-48;1-2/h1-28H;1-2H.
What are the key properties of CID 144619443?
CID 144619443 has a molecular weight of 763.05 g/mol, XLogP of 15.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144619443 is sourced from PubChem (CID 144619443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).