6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole

C45H28N2O — CID 163955120

IUPAC6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole
SMILESc1ccc(-c2cccnc2-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3ccc(-c4ccc5ccccc5c4)cc32)cc1
InChIInChI=1S/C45H28N2O/c1-2-10-30(11-3-1)36-14-8-24-46-45(36)47-41-22-19-33(34-20-23-44-40(27-34)38-13-6-7-15-43(38)48-44)26-39(41)37-21-18-35(28-42(37)47)32-17-16-29-9-4-5-12-31(29)25-32/h1-28H
InChIKeySCRMZCKCRYTERW-UHFFFAOYSA-N
MW612.73 g/mol
LogP12.23
Rot. Bonds4

About 6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole

6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole (PubChem CID 163955120) has the molecular formula C45H28N2O and a molecular weight of 612.73 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole
PubChem CID163955120
Molecular FormulaC45H28N2O
Molecular Weight612.73 g/mol
Exact Mass612.22
IUPAC Name6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole
SMILESc1ccc(-c2cccnc2-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3ccc(-c4ccc5ccccc5c4)cc32)cc1
InChIInChI=1S/C45H28N2O/c1-2-10-30(11-3-1)36-14-8-24-46-45(36)47-41-22-19-33(34-20-23-44-40(27-34)38-13-6-7-15-43(38)48-44)26-39(41)37-21-18-35(28-42(37)47)32-17-16-29-9-4-5-12-31(29)25-32/h1-28H
InChIKeySCRMZCKCRYTERW-UHFFFAOYSA-N
XLogP12.23
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.73
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole?
The IUPAC name of 6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole (CID 163955120) is 6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole.
What is the SMILES notation for 6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole?
The canonical SMILES for 6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole is c1ccc(-c2cccnc2-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3ccc(-c4ccc5ccccc5c4)cc32)cc1.
What is the InChIKey of 6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole?
The InChIKey is SCRMZCKCRYTERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O/c1-2-10-30(11-3-1)36-14-8-24-46-45(36)47-41-22-19-33(34-20-23-44-40(27-34)38-13-6-7-15-43(38)48-44)26-39(41)37-21-18-35(28-42(37)47)32-17-16-29-9-4-5-12-31(29)25-32/h1-28H.
What are the key properties of 6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole?
6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole has a molecular weight of 612.73 g/mol, XLogP of 12.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-(3-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 163955120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).