4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole

C48H30N2O — CID 146490407

IUPAC4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cccc43)c3oc4ccccc4c23)cc1
InChIInChI=1S/C48H30N2O/c1-3-15-31(16-4-1)33-29-30-43(48-46(33)39-21-9-12-28-44(39)51-48)50-41-26-11-8-20-38(41)45-35(22-14-27-42(45)50)37-24-13-23-36-34-19-7-10-25-40(34)49(47(36)37)32-17-5-2-6-18-32/h1-30H
InChIKeyDYCMYSPWXRBWMO-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole

4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole (PubChem CID 146490407) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole
PubChem CID146490407
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cccc43)c3oc4ccccc4c23)cc1
InChIInChI=1S/C48H30N2O/c1-3-15-31(16-4-1)33-29-30-43(48-46(33)39-21-9-12-28-44(39)51-48)50-41-26-11-8-20-38(41)45-35(22-14-27-42(45)50)37-24-13-23-36-34-19-7-10-25-40(34)49(47(36)37)32-17-5-2-6-18-32/h1-30H
InChIKeyDYCMYSPWXRBWMO-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

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole?
The IUPAC name of 4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole (CID 146490407) is 4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole.
What is the SMILES notation for 4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole?
The canonical SMILES for 4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cccc43)c3oc4ccccc4c23)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole?
The InChIKey is DYCMYSPWXRBWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-15-31(16-4-1)33-29-30-43(48-46(33)39-21-9-12-28-44(39)51-48)50-41-26-11-8-20-38(41)45-35(22-14-27-42(45)50)37-24-13-23-36-34-19-7-10-25-40(34)49(47(36)37)32-17-5-2-6-18-32/h1-30H.
What are the key properties of 4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole?
4-(9-phenylcarbazol-1-yl)-9-(1-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 4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole is sourced from PubChem (CID 146490407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).