9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole

C45H27N5S — CID 70847787

IUPAC9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole
SMILESc1cc(-c2ccnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cccnc65)ccc43)n2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C45H27N5S/c1-4-18-39-32(12-1)36-17-9-24-46-44(36)49(39)30-21-22-41-37(27-30)33-13-2-5-19-40(33)50(41)45-47-25-23-38(48-45)29-11-7-10-28(26-29)31-15-8-16-35-34-14-3-6-20-42(34)51-43(31)35/h1-27H
InChIKeyXMEIWNGBMPHNEN-UHFFFAOYSA-N
MW669.81 g/mol
LogP11.77
Rot. Bonds4

About 9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole

9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole (PubChem CID 70847787) has the molecular formula C45H27N5S and a molecular weight of 669.81 g/mol. Its IUPAC name is 9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole
PubChem CID70847787
Molecular FormulaC45H27N5S
Molecular Weight669.81 g/mol
Exact Mass669.20
IUPAC Name9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole
SMILESc1cc(-c2ccnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cccnc65)ccc43)n2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C45H27N5S/c1-4-18-39-32(12-1)36-17-9-24-46-44(36)49(39)30-21-22-41-37(27-30)33-13-2-5-19-40(33)50(41)45-47-25-23-38(48-45)29-11-7-10-28(26-29)31-15-8-16-35-34-14-3-6-20-42(34)51-43(31)35/h1-27H
InChIKeyXMEIWNGBMPHNEN-UHFFFAOYSA-N
XLogP11.77
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.81
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole
CID 70847801
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
9-[4-(3-carbazol-9-ylphenyl)-6-[3-[3-[4-[2-(3-dibenzothiophen-4-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-3-dibenzothiophen-4-ylcarbazole
CID 163835526
3-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 158689854
9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-2,7-diphenylcarbazole
CID 118133186
2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 162006588
3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 160557560
9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-2-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole
CID 159055831
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole
CID 118133174
5-[4-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 163545028
9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
CID 156577666

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole (CID 70847787) is 9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole is c1cc(-c2ccnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cccnc65)ccc43)n2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole?
The InChIKey is XMEIWNGBMPHNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5S/c1-4-18-39-32(12-1)36-17-9-24-46-44(36)49(39)30-21-22-41-37(27-30)33-13-2-5-19-40(33)50(41)45-47-25-23-38(48-45)29-11-7-10-28(26-29)31-15-8-16-35-34-14-3-6-20-42(34)51-43(31)35/h1-27H.
What are the key properties of 9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole?
9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole has a molecular weight of 669.81 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 70847787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).