2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole

C50H31NO — CID 155454186

IUPAC2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc32)cc1
InChIInChI=1S/C50H31NO/c1-2-14-34(15-3-1)51-45-24-12-10-17-36(45)37-28-26-32(31-46(37)51)35-16-4-5-19-39(35)50-42-22-8-6-20-40(42)49(41-21-7-9-23-43(41)50)33-27-29-48-44(30-33)38-18-11-13-25-47(38)52-48/h1-31H
InChIKeyRHPZYAAPGHRHED-UHFFFAOYSA-N
MW661.80 g/mol
LogP13.99
Rot. Bonds4

About 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole

2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole (PubChem CID 155454186) has the molecular formula C50H31NO and a molecular weight of 661.80 g/mol. Its IUPAC name is 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
PubChem CID155454186
Molecular FormulaC50H31NO
Molecular Weight661.80 g/mol
Exact Mass661.24
IUPAC Name2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc32)cc1
InChIInChI=1S/C50H31NO/c1-2-14-34(15-3-1)51-45-24-12-10-17-36(45)37-28-26-32(31-46(37)51)35-16-4-5-19-39(35)50-42-22-8-6-20-40(42)49(41-21-7-9-23-43(41)50)33-27-29-48-44(30-33)38-18-11-13-25-47(38)52-48/h1-31H
InChIKeyRHPZYAAPGHRHED-UHFFFAOYSA-N
XLogP13.99
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.80
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole (CID 155454186) is 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccccc4-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc32)cc1.
What is the InChIKey of 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole?
The InChIKey is RHPZYAAPGHRHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO/c1-2-14-34(15-3-1)51-45-24-12-10-17-36(45)37-28-26-32(31-46(37)51)35-16-4-5-19-39(35)50-42-22-8-6-20-40(42)49(41-21-7-9-23-43(41)50)33-27-29-48-44(30-33)38-18-11-13-25-47(38)52-48/h1-31H.
What are the key properties of 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole?
2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole has a molecular weight of 661.80 g/mol, XLogP of 13.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 155454186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).