[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane

C112H78N4S2 — CID 170122507

IUPAC[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane
SMILESc1ccc(-c2cccc(S(c3cccc(-c4ccccc4)c3)(c3cccc(-c4ccccc4)c3)c3cc(-c4nc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)cc(S(c4cccc(-c5ccccc5)c4)(c4cccc(-c5ccccc5)c4)c4cccc(-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C112H78N4S2/c1-8-34-79(35-9-1)86-48-28-54-94(68-86)117(95-55-29-49-87(69-95)80-36-10-2-11-37-80,96-56-30-50-88(70-96)81-38-12-3-13-39-81)100-74-93(112-113-110(115-106-63-25-22-60-102(106)103-61-23-26-64-107(103)115)78-111(114-112)116-108-65-27-24-62-104(108)105-76-92(66-67-109(105)116)85-46-20-7-21-47-85)75-101(77-100)118(97-57-31-51-89(71-97)82-40-14-4-15-41-82,98-58-32-52-90(72-98)83-42-16-5-17-43-83)99-59-33-53-91(73-99)84-44-18-6-19-45-84/h1-78H
InChIKeyXMBLMCHWPVHRSQ-UHFFFAOYSA-N
MW1544.02 g/mol
LogP30.69
Rot. Bonds18

About [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane

[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane (PubChem CID 170122507) has the molecular formula C112H78N4S2 and a molecular weight of 1544.02 g/mol. Its IUPAC name is [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane.

Molecular Properties

Compound Name[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane
PubChem CID170122507
Molecular FormulaC112H78N4S2
Molecular Weight1544.02 g/mol
Exact Mass1542.57
IUPAC Name[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane
SMILESc1ccc(-c2cccc(S(c3cccc(-c4ccccc4)c3)(c3cccc(-c4ccccc4)c3)c3cc(-c4nc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)cc(S(c4cccc(-c5ccccc5)c4)(c4cccc(-c5ccccc5)c4)c4cccc(-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C112H78N4S2/c1-8-34-79(35-9-1)86-48-28-54-94(68-86)117(95-55-29-49-87(69-95)80-36-10-2-11-37-80,96-56-30-50-88(70-96)81-38-12-3-13-39-81)100-74-93(112-113-110(115-106-63-25-22-60-102(106)103-61-23-26-64-107(103)115)78-111(114-112)116-108-65-27-24-62-104(108)105-76-92(66-67-109(105)116)85-46-20-7-21-47-85)75-101(77-100)118(97-57-31-51-89(71-97)82-40-14-4-15-41-82,98-58-32-52-90(72-98)83-42-16-5-17-43-83)99-59-33-53-91(73-99)84-44-18-6-19-45-84/h1-78H
InChIKeyXMBLMCHWPVHRSQ-UHFFFAOYSA-N
XLogP30.69
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001544.02
LogP ≤ 530.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane with MolForge

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

Launch Full Analysis

Related Compounds

[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-[phenyl-bis(3-phenylphenyl)-λ4-sulfanyl]phenyl]-phenyl-bis(3-phenylphenyl)-λ4-sulfane
CID 170122596
9-[6-(3,6-diphenylcarbazol-9-yl)-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole
CID 59330290
9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 146379780
[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 169031827
[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenyl-λ4-sulfane
CID 170245107
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-[3-(triphenyl-λ4-sulfanyl)phenyl]pyrimidin-4-yl]carbazole-2-carbonitrile
CID 170245321
9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-3-[9-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]carbazol-3-yl]carbazole
CID 126700362
3-[9-[2-phenyl-6-[3-[4-[4-[3-[6-phenyl-2-[3-[9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 137445193
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole
CID 150934071
9-(6-methyl-2-pyridinyl)-3-phenylcarbazole
CID 144734478
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912

Frequently Asked Questions

What is the IUPAC name of [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane?
The IUPAC name of [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane (CID 170122507) is [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane.
What is the SMILES notation for [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane?
The canonical SMILES for [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane is c1ccc(-c2cccc(S(c3cccc(-c4ccccc4)c3)(c3cccc(-c4ccccc4)c3)c3cc(-c4nc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)cc(S(c4cccc(-c5ccccc5)c4)(c4cccc(-c5ccccc5)c4)c4cccc(-c5ccccc5)c4)c3)c2)cc1.
What is the InChIKey of [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane?
The InChIKey is XMBLMCHWPVHRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H78N4S2/c1-8-34-79(35-9-1)86-48-28-54-94(68-86)117(95-55-29-49-87(69-95)80-36-10-2-11-37-80,96-56-30-50-88(70-96)81-38-12-3-13-39-81)100-74-93(112-113-110(115-106-63-25-22-60-102(106)103-61-23-26-64-107(103)115)78-111(114-112)116-108-65-27-24-62-104(108)105-76-92(66-67-109(105)116)85-46-20-7-21-47-85)75-101(77-100)118(97-57-31-51-89(71-97)82-40-14-4-15-41-82,98-58-32-52-90(72-98)83-42-16-5-17-43-83)99-59-33-53-91(73-99)84-44-18-6-19-45-84/h1-78H.
What are the key properties of [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane?
[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane has a molecular weight of 1544.02 g/mol, XLogP of 30.69, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[tris(3-phenylphenyl)-λ4-sulfanyl]phenyl]-tris(3-phenylphenyl)-λ4-sulfane is sourced from PubChem (CID 170122507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).