2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline

C48H29N3O — CID 90049874

IUPAC2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc5ccc6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc6c5n4)cc3)cccc12
InChIInChI=1S/C48H29N3O/c1-4-13-43-37(8-1)38-9-2-5-14-44(38)51(43)35-26-22-32(23-27-35)42-29-25-34-21-20-33-24-28-41(49-46(33)47(34)50-42)31-18-16-30(17-19-31)36-11-7-12-40-39-10-3-6-15-45(39)52-48(36)40/h1-29H
InChIKeyOSTCQCQUUPAPPN-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.78
Rot. Bonds4

About 2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline

2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline (PubChem CID 90049874) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline
PubChem CID90049874
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc5ccc6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc6c5n4)cc3)cccc12
InChIInChI=1S/C48H29N3O/c1-4-13-43-37(8-1)38-9-2-5-14-44(38)51(43)35-26-22-32(23-27-35)42-29-25-34-21-20-33-24-28-41(49-46(33)47(34)50-42)31-18-16-30(17-19-31)36-11-7-12-40-39-10-3-6-15-45(39)52-48(36)40/h1-29H
InChIKeyOSTCQCQUUPAPPN-UHFFFAOYSA-N
XLogP12.78
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 90049857
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline
CID 164835106
9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692971
7-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-ylindolo[2,3-b]carbazole
CID 126580139
9-(4-dibenzofuran-4-ylphenyl)-3-methylcarbazole
CID 129128081
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534619
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline (CID 90049874) is 2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline is c1ccc2c(c1)oc1c(-c3ccc(-c4ccc5ccc6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc6c5n4)cc3)cccc12.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline?
The InChIKey is OSTCQCQUUPAPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-4-13-43-37(8-1)38-9-2-5-14-44(38)51(43)35-26-22-32(23-27-35)42-29-25-34-21-20-33-24-28-41(49-46(33)47(34)50-42)31-18-16-30(17-19-31)36-11-7-12-40-39-10-3-6-15-45(39)52-48(36)40/h1-29H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline?
2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline has a molecular weight of 663.78 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 90049874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).