9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole

C52H35N3S — CID 139556148

IUPAC9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole
SMILESC1=C(c2cccc(-c3ccccc3)c2)NC(c2ccccc2)N=C1c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C52H35N3S/c1-3-13-34(14-4-1)38-17-11-18-39(31-38)46-33-45(53-52(54-46)37-15-5-2-6-16-37)36-27-25-35(26-28-36)41-21-12-23-48-51(41)43-20-7-9-22-47(43)55(48)40-29-30-50-44(32-40)42-19-8-10-24-49(42)56-50/h1-33,52,54H
InChIKeyYQXJKTQDGTULLY-UHFFFAOYSA-N
MW733.94 g/mol
LogP13.62
Rot. Bonds6

About 9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole

9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole (PubChem CID 139556148) has the molecular formula C52H35N3S and a molecular weight of 733.94 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole
PubChem CID139556148
Molecular FormulaC52H35N3S
Molecular Weight733.94 g/mol
Exact Mass733.26
IUPAC Name9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole
SMILESC1=C(c2cccc(-c3ccccc3)c2)NC(c2ccccc2)N=C1c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C52H35N3S/c1-3-13-34(14-4-1)38-17-11-18-39(31-38)46-33-45(53-52(54-46)37-15-5-2-6-16-37)36-27-25-35(26-28-36)41-21-12-23-48-51(41)43-20-7-9-22-47(43)55(48)40-29-30-50-44(32-40)42-19-8-10-24-49(42)56-50/h1-33,52,54H
InChIKeyYQXJKTQDGTULLY-UHFFFAOYSA-N
XLogP13.62
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.94
LogP ≤ 513.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
6-dibenzothiophen-4-yl-9-[3-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-1,3-diphenylcarbazole
CID 144834657
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
9-dibenzothiophen-2-yl-4-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139556307
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole
CID 139555395
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
CID 164968420
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
2-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9-phenylcarbazole
CID 149248935
7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214923

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole (CID 139556148) is 9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole is C1=C(c2cccc(-c3ccccc3)c2)NC(c2ccccc2)N=C1c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole?
The InChIKey is YQXJKTQDGTULLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3S/c1-3-13-34(14-4-1)38-17-11-18-39(31-38)46-33-45(53-52(54-46)37-15-5-2-6-16-37)36-27-25-35(26-28-36)41-21-12-23-48-51(41)43-20-7-9-22-47(43)55(48)40-29-30-50-44(32-40)42-19-8-10-24-49(42)56-50/h1-33,52,54H.
What are the key properties of 9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole?
9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole has a molecular weight of 733.94 g/mol, XLogP of 13.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 139556148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).