2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole

C43H29N3O — CID 129125610

IUPAC2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
SMILESc1ccc(C2Nc3ccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)cc3O2)cc1
InChIInChI=1S/C43H29N3O/c1-3-12-28(13-4-1)43-44-37-25-22-30(27-40(37)47-43)29-14-11-17-32(26-29)46-39-21-10-8-19-34(39)36-24-23-35-33-18-7-9-20-38(33)45(41(35)42(36)46)31-15-5-2-6-16-31/h1-27,43-44H
InChIKeyATNURKIYNYLKNB-UHFFFAOYSA-N
MW603.73 g/mol
LogP11.05
Rot. Bonds4

About 2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole

2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole (PubChem CID 129125610) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
PubChem CID129125610
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
SMILESc1ccc(C2Nc3ccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)cc3O2)cc1
InChIInChI=1S/C43H29N3O/c1-3-12-28(13-4-1)43-44-37-25-22-30(27-40(37)47-43)29-14-11-17-32(26-29)46-39-21-10-8-19-34(39)36-24-23-35-33-18-7-9-20-38(33)45(41(35)42(36)46)31-15-5-2-6-16-31/h1-27,43-44H
InChIKeyATNURKIYNYLKNB-UHFFFAOYSA-N
XLogP11.05
TPSA31.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 511.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(4-fluorophenoxy)-1-(4-fluorophenyl)ethyl]-4-(11-phenylindolo[2,3-a]carbazol-12-yl)benzenecarboximidamide
CID 144595978
2-[4-[6-[4-(3,4,5-Trifluorophenyl)phenyl]quinoxalin-2-yl]phenyl]-2,3-dihydro-1,3-benzoxazole
CID 166850397
12-[2,6-Bis(3,5-dimethoxyphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 70992332
3-[2,7-Bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine
CID 71678250
2-[3-(6-Carbazol-9-yl-2,3-dihydrodibenzofuran-2-yl)-2-methylidenebenzimidazol-1-yl]aniline
CID 88992255
12-[3-[4-(4-Methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)-5,6-dioctylindolo[2,3-a]carbazole
CID 90085320
12-[3-[4-(4-Methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole
CID 90085340
10-[3-(11,12-Diphenylindolo[2,3-a]carbazol-5-yl)phenyl]phenoxazine
CID 90126264
2-(6,9-diphenylcarbazol-3-yl)-9-[(3E,5Z)-7-methylidene-2H-1-benzoxonin-3-yl]-6-phenylcarbazole
CID 90352523
2-[4-[2-[2-[9-(4-Phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-2,3-dihydro-1,3-benzoxazole
CID 91547289
2-[4-[2-[2-(4-Carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-4-chloro-2,3-dihydro-1,3-benzoxazole
CID 117709048
4-Phenyl-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-2,3-dihydro-1,3-benzoxazole
CID 117709079

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of 2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole (CID 129125610) is 2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole is c1ccc(C2Nc3ccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)cc3O2)cc1.
What is the InChIKey of 2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole?
The InChIKey is ATNURKIYNYLKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-3-12-28(13-4-1)43-44-37-25-22-30(27-40(37)47-43)29-14-11-17-32(26-29)46-39-21-10-8-19-34(39)36-24-23-35-33-18-7-9-20-38(33)45(41(35)42(36)46)31-15-5-2-6-16-31/h1-27,43-44H.
What are the key properties of 2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole?
2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole has a molecular weight of 603.73 g/mol, XLogP of 11.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 129125610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).