6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole

C41H24N2O2 — CID 171755340

IUPAC6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccc(-c4cccc5oc6cc(-n7c8ccccc8c8ccc9ccccc9c87)ccc6c45)cc3o2)cc1
InChIInChI=1S/C41H24N2O2/c1-2-10-26(11-3-1)41-42-34-22-18-27(23-38(34)45-41)29-14-8-16-36-39(29)33-21-19-28(24-37(33)44-36)43-35-15-7-6-13-31(35)32-20-17-25-9-4-5-12-30(25)40(32)43/h1-24H
InChIKeyDATUUJXNLOGJPA-UHFFFAOYSA-N
MW576.66 g/mol
LogP11.31
Rot. Bonds3

About 6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole

6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole (PubChem CID 171755340) has the molecular formula C41H24N2O2 and a molecular weight of 576.66 g/mol. Its IUPAC name is 6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole
PubChem CID171755340
Molecular FormulaC41H24N2O2
Molecular Weight576.66 g/mol
Exact Mass576.18
IUPAC Name6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccc(-c4cccc5oc6cc(-n7c8ccccc8c8ccc9ccccc9c87)ccc6c45)cc3o2)cc1
InChIInChI=1S/C41H24N2O2/c1-2-10-26(11-3-1)41-42-34-22-18-27(23-38(34)45-41)29-14-8-16-36-39(29)33-21-19-28(24-37(33)44-36)43-35-15-7-6-13-31(35)32-20-17-25-9-4-5-12-30(25)40(32)43/h1-24H
InChIKeyDATUUJXNLOGJPA-UHFFFAOYSA-N
XLogP11.31
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 153087373
12-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 162703745
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
9-[9-(4-chrysen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 176817892
11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758383
7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253451
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-1-phenylcarbazole
CID 154624614
12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 170277606
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
CID 167243435
2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[11-(3-phenylphenyl)benzo[a]carbazol-8-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[5-(3-phenylphenyl)benzo[b]carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 159394481

Frequently Asked Questions

What is the IUPAC name of 6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole?
The IUPAC name of 6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole (CID 171755340) is 6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3ccc(-c4cccc5oc6cc(-n7c8ccccc8c8ccc9ccccc9c87)ccc6c45)cc3o2)cc1.
What is the InChIKey of 6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole?
The InChIKey is DATUUJXNLOGJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2O2/c1-2-10-26(11-3-1)41-42-34-22-18-27(23-38(34)45-41)29-14-8-16-36-39(29)33-21-19-28(24-37(33)44-36)43-35-15-7-6-13-31(35)32-20-17-25-9-4-5-12-30(25)40(32)43/h1-24H.
What are the key properties of 6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole?
6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole has a molecular weight of 576.66 g/mol, XLogP of 11.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 171755340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).