12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole

C48H29NO2 — CID 170277606

IUPAC12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc5oc6cc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)ccc6c45)c3)c2)cc1
InChIInChI=1S/C48H29NO2/c1-2-11-30(12-3-1)31-13-8-14-32(27-31)33-15-9-16-34(28-33)36-19-10-22-44-46(36)41-24-23-35(29-45(41)50-44)49-42-20-6-4-17-37(42)39-25-26-40-38-18-5-7-21-43(38)51-48(40)47(39)49/h1-29H
InChIKeyGKWMAWRDEQPYRA-UHFFFAOYSA-N
MW651.77 g/mol
LogP13.58
Rot. Bonds4

About 12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole

12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 170277606) has the molecular formula C48H29NO2 and a molecular weight of 651.77 g/mol. Its IUPAC name is 12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID170277606
Molecular FormulaC48H29NO2
Molecular Weight651.77 g/mol
Exact Mass651.22
IUPAC Name12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc5oc6cc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)ccc6c45)c3)c2)cc1
InChIInChI=1S/C48H29NO2/c1-2-11-30(12-3-1)31-13-8-14-32(27-31)33-15-9-16-34(28-33)36-19-10-22-44-46(36)41-24-23-35(29-45(41)50-44)49-42-20-6-4-17-37(42)39-25-26-40-38-18-5-7-21-43(38)51-48(40)47(39)49/h1-29H
InChIKeyGKWMAWRDEQPYRA-UHFFFAOYSA-N
XLogP13.58
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 170688597
10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828366
12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 165012707
12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612099
12-[4-phenyl-6-[4-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164933118
7-[4-[4-[2-[4-[3-[9-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-7-phenylcarbazol-2-yl]phenyl]phenyl]-7-phenylcarbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 167192720
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
9-(6-dibenzofuran-1-yldibenzofuran-3-yl)carbazole
CID 170688633
3-dibenzofuran-1-yl-12-phenyl-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168727712
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
12-(5-phenylnaphthalen-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 118502601
9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
CID 170285075

Frequently Asked Questions

What is the IUPAC name of 12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole (CID 170277606) is 12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cccc(-c3cccc(-c4cccc5oc6cc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)ccc6c45)c3)c2)cc1.
What is the InChIKey of 12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is GKWMAWRDEQPYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2/c1-2-11-30(12-3-1)31-13-8-14-32(27-31)33-15-9-16-34(28-33)36-19-10-22-44-46(36)41-24-23-35(29-45(41)50-44)49-42-20-6-4-17-37(42)39-25-26-40-38-18-5-7-21-43(38)51-48(40)47(39)49/h1-29H.
What are the key properties of 12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole?
12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 651.77 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 170277606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).