1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole

C48H30N2O — CID 163881699

IUPAC1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6cccc(-c7cccc8oc9ccccc9c78)c65)c4)ccc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-14-33(15-3-1)49-42-23-7-5-18-36(42)41-30-32(27-28-44(41)49)31-13-10-16-34(29-31)50-43-24-8-4-17-35(43)38-21-11-22-39(48(38)50)37-20-12-26-46-47(37)40-19-6-9-25-45(40)51-46/h1-30H
InChIKeyPTTXLCQVSXJQRL-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole

1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole (PubChem CID 163881699) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
PubChem CID163881699
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6cccc(-c7cccc8oc9ccccc9c78)c65)c4)ccc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-14-33(15-3-1)49-42-23-7-5-18-36(42)41-30-32(27-28-44(41)49)31-13-10-16-34(29-31)50-43-24-8-4-17-35(43)38-21-11-22-39(48(38)50)37-20-12-26-46-47(37)40-19-6-9-25-45(40)51-46/h1-30H
InChIKeyPTTXLCQVSXJQRL-UHFFFAOYSA-N
XLogP13.11
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-1-yl-12-phenyl-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168727712
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276
9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149426
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154602228
3-dibenzofuran-1-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165052317
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole (CID 163881699) is 1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6cccc(-c7cccc8oc9ccccc9c78)c65)c4)ccc32)cc1.
What is the InChIKey of 1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The InChIKey is PTTXLCQVSXJQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-14-33(15-3-1)49-42-23-7-5-18-36(42)41-30-32(27-28-44(41)49)31-13-10-16-34(29-31)50-43-24-8-4-17-35(43)38-21-11-22-39(48(38)50)37-20-12-26-46-47(37)40-19-6-9-25-45(40)51-46/h1-30H.
What are the key properties of 1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole?
1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole has a molecular weight of 650.78 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 163881699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).