2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole

C48H30N2O — CID 167200544

IUPAC2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C48H30N2O/c1-3-13-31(14-4-1)34-28-41-39-19-9-12-22-47(39)51-48(41)46(30-34)50-43-21-11-7-17-36(43)38-25-23-33(29-45(38)50)32-24-26-44-40(27-32)37-18-8-10-20-42(37)49(44)35-15-5-2-6-16-35/h1-30H
InChIKeyMYCKYELEHNQFTO-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole

2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole (PubChem CID 167200544) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
PubChem CID167200544
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C48H30N2O/c1-3-13-31(14-4-1)34-28-41-39-19-9-12-22-47(39)51-48(41)46(30-34)50-43-21-11-7-17-36(43)38-25-23-33(29-45(38)50)32-24-26-44-40(27-32)37-18-8-10-20-42(37)49(44)35-15-5-2-6-16-35/h1-30H
InChIKeyMYCKYELEHNQFTO-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

2-[9-(2-phenyldibenzofuran-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167201110
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane
CID 144723930
3-[9-(2-naphthalen-1-yldibenzofuran-4-yl)carbazol-2-yl]-9-phenylcarbazole
CID 167200561
2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 172512187
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 139555564
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200305
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167278242
3-(9-phenylcarbazol-2-yl)-9-(4-phenyldibenzofuran-1-yl)carbazole
CID 167200371
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole?
The IUPAC name of 2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole (CID 167200544) is 2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole.
What is the SMILES notation for 2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole?
The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)c3oc4ccccc4c3c2)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole?
The InChIKey is MYCKYELEHNQFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-13-31(14-4-1)34-28-41-39-19-9-12-22-47(39)51-48(41)46(30-34)50-43-21-11-7-17-36(43)38-25-23-33(29-45(38)50)32-24-26-44-40(27-32)37-18-8-10-20-42(37)49(44)35-15-5-2-6-16-35/h1-30H.
What are the key properties of 2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole?
2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)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 2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole is sourced from PubChem (CID 167200544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).