9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole

C41H24N4O — CID 169278877

IUPAC9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc2c(c1)ccc1cccc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-n4c5ccccc5c5ccccc54)n3)c12
InChIInChI=1S/C41H24N4O/c1-2-13-27-25(11-1)23-24-26-12-9-17-31(37(26)27)39-42-40(32-18-10-22-36-38(32)30-16-5-8-21-35(30)46-36)44-41(43-39)45-33-19-6-3-14-28(33)29-15-4-7-20-34(29)45/h1-24H
InChIKeyFOFOMMGMSXMOOK-UHFFFAOYSA-N
MW588.67 g/mol
LogP10.51
Rot. Bonds3

About 9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole

9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole (PubChem CID 169278877) has the molecular formula C41H24N4O and a molecular weight of 588.67 g/mol. Its IUPAC name is 9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole
PubChem CID169278877
Molecular FormulaC41H24N4O
Molecular Weight588.67 g/mol
Exact Mass588.20
IUPAC Name9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc2c(c1)ccc1cccc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-n4c5ccccc5c5ccccc54)n3)c12
InChIInChI=1S/C41H24N4O/c1-2-13-27-25(11-1)23-24-26-12-9-17-31(37(26)27)39-42-40(32-18-10-22-36-38(32)30-16-5-8-21-35(30)46-36)44-41(43-39)45-33-19-6-3-14-28(33)29-15-4-7-20-34(29)45/h1-24H
InChIKeyFOFOMMGMSXMOOK-UHFFFAOYSA-N
XLogP10.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
2-dibenzofuran-1-yl-4-phenanthren-4-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 169278676
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)carbazole
CID 146658758
9-[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167031824
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole
CID 142377731
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-[4-[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032163

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole (CID 169278877) is 9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole is c1ccc2c(c1)ccc1cccc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-n4c5ccccc5c5ccccc54)n3)c12.
What is the InChIKey of 9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is FOFOMMGMSXMOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4O/c1-2-13-27-25(11-1)23-24-26-12-9-17-31(37(26)27)39-42-40(32-18-10-22-36-38(32)30-16-5-8-21-35(30)46-36)44-41(43-39)45-33-19-6-3-14-28(33)29-15-4-7-20-34(29)45/h1-24H.
What are the key properties of 9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole?
9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 588.67 g/mol, XLogP of 10.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 169278877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).