5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole

C44H27N5O — CID 140729431

IUPAC5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole
SMILESc1cc(-n2c3ccccc3c3ccc(-c4ncc(-n5c6ccccc6c6ccccc65)o4)cc32)cc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C44H27N5O/c1-5-18-37-33(15-1)35-23-22-28(44-46-27-42(50-44)49-39-20-7-2-13-31(39)32-14-3-8-21-40(32)49)25-41(35)47(37)29-11-9-12-30(26-29)48-38-19-6-4-16-34(38)36-17-10-24-45-43(36)48/h1-27H
InChIKeyDPFIMZPFURRZQU-UHFFFAOYSA-N
MW641.73 g/mol
LogP11.03
Rot. Bonds4

About 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole

5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole (PubChem CID 140729431) has the molecular formula C44H27N5O and a molecular weight of 641.73 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole
PubChem CID140729431
Molecular FormulaC44H27N5O
Molecular Weight641.73 g/mol
Exact Mass641.22
IUPAC Name5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole
SMILESc1cc(-n2c3ccccc3c3ccc(-c4ncc(-n5c6ccccc6c6ccccc65)o4)cc32)cc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C44H27N5O/c1-5-18-37-33(15-1)35-23-22-28(44-46-27-42(50-44)49-39-20-7-2-13-31(39)32-14-3-8-21-40(32)49)25-41(35)47(37)29-11-9-12-30(26-29)48-38-19-6-4-16-34(38)36-17-10-24-45-43(36)48/h1-27H
InChIKeyDPFIMZPFURRZQU-UHFFFAOYSA-N
XLogP11.03
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole
CID 140730755
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
9-[3-(2-imidazo[1,5-a]pyridin-3-ylcarbazol-9-yl)phenyl]pyrido[2,3-b]indole
CID 140730023
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225
9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 118587534
7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587684
9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221621
16-(2-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 140680827
9-(3,5-dipyridin-2-ylphenyl)-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221618
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
CID 156577704
9-phenylpyrido[2,3-b]indole
CID 15939260

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole?
The IUPAC name of 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole (CID 140729431) is 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole?
The canonical SMILES for 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole is c1cc(-n2c3ccccc3c3ccc(-c4ncc(-n5c6ccccc6c6ccccc65)o4)cc32)cc(-n2c3ccccc3c3cccnc32)c1.
What is the InChIKey of 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole?
The InChIKey is DPFIMZPFURRZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5O/c1-5-18-37-33(15-1)35-23-22-28(44-46-27-42(50-44)49-39-20-7-2-13-31(39)32-14-3-8-21-40(32)49)25-41(35)47(37)29-11-9-12-30(26-29)48-38-19-6-4-16-34(38)36-17-10-24-45-43(36)48/h1-27H.
What are the key properties of 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole?
5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole has a molecular weight of 641.73 g/mol, XLogP of 11.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 140729431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).