5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole

C31H19N3O — CID 118501981

IUPAC5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc5ocnc5c4)c32)cc1
InChIInChI=1S/C31H19N3O/c1-2-8-20(9-3-1)34-26-12-6-4-10-22(26)23-15-16-28-30(31(23)34)24-11-5-7-13-27(24)33(28)21-14-17-29-25(18-21)32-19-35-29/h1-19H
InChIKeyBWKAJQCSLLVEBF-UHFFFAOYSA-N
MW449.51 g/mol
LogP8.02
Rot. Bonds2

About 5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole

5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole (PubChem CID 118501981) has the molecular formula C31H19N3O and a molecular weight of 449.51 g/mol. Its IUPAC name is 5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole
PubChem CID118501981
Molecular FormulaC31H19N3O
Molecular Weight449.51 g/mol
Exact Mass449.15
IUPAC Name5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc5ocnc5c4)c32)cc1
InChIInChI=1S/C31H19N3O/c1-2-8-20(9-3-1)34-26-12-6-4-10-22(26)23-15-16-28-30(31(23)34)24-11-5-7-13-27(24)33(28)21-14-17-29-25(18-21)32-19-35-29/h1-19H
InChIKeyBWKAJQCSLLVEBF-UHFFFAOYSA-N
XLogP8.02
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(21-phenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaen-9-yl)-1,3-benzoxazole
CID 122465198
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 144930867
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172

Frequently Asked Questions

What is the IUPAC name of 5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole (CID 118501981) is 5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole is c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc5ocnc5c4)c32)cc1.
What is the InChIKey of 5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole?
The InChIKey is BWKAJQCSLLVEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3O/c1-2-8-20(9-3-1)34-26-12-6-4-10-22(26)23-15-16-28-30(31(23)34)24-11-5-7-13-27(24)33(28)21-14-17-29-25(18-21)32-19-35-29/h1-19H.
What are the key properties of 5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole?
5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole has a molecular weight of 449.51 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 118501981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).