12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]

C55H33NOS — CID 129133146

IUPAC12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6Oc6ccccc65)cc4)cccc23)cc1
InChIInChI=1S/C55H33NOS/c1-2-14-34(15-3-1)37-18-12-20-41-42-21-13-19-38(54(42)58-53(37)41)35-28-30-36(31-29-35)56-48-25-9-5-16-39(48)40-32-33-47-51(52(40)56)43-17-4-6-22-44(43)55(47)45-23-7-10-26-49(45)57-50-27-11-8-24-46(50)55/h1-33H
InChIKeyRGHGCNCTLJXBLY-UHFFFAOYSA-N
MW755.94 g/mol
LogP14.95
Rot. Bonds3

About 12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]

12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] (PubChem CID 129133146) has the molecular formula C55H33NOS and a molecular weight of 755.94 g/mol. Its IUPAC name is 12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
PubChem CID129133146
Molecular FormulaC55H33NOS
Molecular Weight755.94 g/mol
Exact Mass755.23
IUPAC Name12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6Oc6ccccc65)cc4)cccc23)cc1
InChIInChI=1S/C55H33NOS/c1-2-14-34(15-3-1)37-18-12-20-41-42-21-13-19-38(54(42)58-53(37)41)35-28-30-36(31-29-35)56-48-25-9-5-16-39(48)40-32-33-47-51(52(40)56)43-17-4-6-22-44(43)55(47)45-23-7-10-26-49(45)57-50-27-11-8-24-46(50)55/h1-33H
InChIKeyRGHGCNCTLJXBLY-UHFFFAOYSA-N
XLogP14.95
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.94
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The IUPAC name of 12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] (CID 129133146) is 12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene].
What is the SMILES notation for 12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The canonical SMILES for 12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] is c1ccc(-c2cccc3c2sc2c(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6Oc6ccccc65)cc4)cccc23)cc1.
What is the InChIKey of 12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The InChIKey is RGHGCNCTLJXBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NOS/c1-2-14-34(15-3-1)37-18-12-20-41-42-21-13-19-38(54(42)58-53(37)41)35-28-30-36(31-29-35)56-48-25-9-5-16-39(48)40-32-33-47-51(52(40)56)43-17-4-6-22-44(43)55(47)45-23-7-10-26-49(45)57-50-27-11-8-24-46(50)55/h1-33H.
What are the key properties of 12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] has a molecular weight of 755.94 g/mol, XLogP of 14.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(6-phenyldibenzothiophen-4-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] is sourced from PubChem (CID 129133146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).