3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole

C40H27N3S — CID 90132024

IUPAC3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)=NC(c3ccccc3)C2)cc1
InChIInChI=1S/C40H27N3S/c1-3-12-26(13-4-1)34-25-35(27-14-5-2-6-15-27)42-40(41-34)43-36-20-9-7-16-30(36)33-24-28(22-23-37(33)43)29-18-11-19-32-31-17-8-10-21-38(31)44-39(29)32/h1-24,34H,25H2
InChIKeyVNGKFUUCFFJZID-UHFFFAOYSA-N
MW581.74 g/mol
LogP10.67
Rot. Bonds3

About 3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole

3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole (PubChem CID 90132024) has the molecular formula C40H27N3S and a molecular weight of 581.74 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole
PubChem CID90132024
Molecular FormulaC40H27N3S
Molecular Weight581.74 g/mol
Exact Mass581.19
IUPAC Name3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)=NC(c3ccccc3)C2)cc1
InChIInChI=1S/C40H27N3S/c1-3-12-26(13-4-1)34-25-35(27-14-5-2-6-15-27)42-40(41-34)43-36-20-9-7-16-30(36)33-24-28(22-23-37(33)43)29-18-11-19-32-31-17-8-10-21-38(31)44-39(29)32/h1-24,34H,25H2
InChIKeyVNGKFUUCFFJZID-UHFFFAOYSA-N
XLogP10.67
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.74
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
2-[9-[4-(2,4-diphenyl-4,5-dihydropyrimidin-6-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160846516
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
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
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole (CID 90132024) is 3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole is c1ccc(C2=NC(n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)=NC(c3ccccc3)C2)cc1.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole?
The InChIKey is VNGKFUUCFFJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3S/c1-3-12-26(13-4-1)34-25-35(27-14-5-2-6-15-27)42-40(41-34)43-36-20-9-7-16-30(36)33-24-28(22-23-37(33)43)29-18-11-19-32-31-17-8-10-21-38(31)44-39(29)32/h1-24,34H,25H2.
What are the key properties of 3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole?
3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole has a molecular weight of 581.74 g/mol, XLogP of 10.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-9-(4,6-diphenyl-4,5-dihydropyrimidin-2-yl)carbazole is sourced from PubChem (CID 90132024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).