9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole

C53H34N4O — CID 163568836

IUPAC9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole
SMILESc1ccc(C2=NC(c3cccc4c3oc3cc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)ccc34)N=C(c3ccc4c(ccc5ccccc54)c3)N2)cc1
InChIInChI=1S/C53H34N4O/c1-3-13-33(14-4-1)41-20-12-24-47-49(41)44-19-9-10-23-46(44)57(47)38-28-30-42-43-21-11-22-45(50(43)58-48(42)32-38)53-55-51(35-16-5-2-6-17-35)54-52(56-53)37-27-29-40-36(31-37)26-25-34-15-7-8-18-39(34)40/h1-32,53H,(H,54,55,56)
InChIKeyFXMJESJECHNZTI-UHFFFAOYSA-N
MW742.88 g/mol
LogP13.15
Rot. Bonds5

About 9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole

9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole (PubChem CID 163568836) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is 9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole
PubChem CID163568836
Molecular FormulaC53H34N4O
Molecular Weight742.88 g/mol
Exact Mass742.27
IUPAC Name9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole
SMILESc1ccc(C2=NC(c3cccc4c3oc3cc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)ccc34)N=C(c3ccc4c(ccc5ccccc54)c3)N2)cc1
InChIInChI=1S/C53H34N4O/c1-3-13-33(14-4-1)41-20-12-24-47-49(41)44-19-9-10-23-46(44)57(47)38-28-30-42-43-21-11-22-45(50(43)58-48(42)32-38)53-55-51(35-16-5-2-6-17-35)54-52(56-53)37-27-29-40-36(31-37)26-25-34-15-7-8-18-39(34)40/h1-32,53H,(H,54,55,56)
InChIKeyFXMJESJECHNZTI-UHFFFAOYSA-N
XLogP13.15
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 513.15
H-Bond Donors ≤ 51
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-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole
CID 166961353
9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole
CID 146664773
3-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 166961453
4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167419816
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029289
11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167233530
2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 146335798
4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170187141
2-phenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167143613
4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166915890

Frequently Asked Questions

What is the IUPAC name of 9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole?
The IUPAC name of 9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole (CID 163568836) is 9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole.
What is the SMILES notation for 9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole?
The canonical SMILES for 9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole is c1ccc(C2=NC(c3cccc4c3oc3cc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)ccc34)N=C(c3ccc4c(ccc5ccccc54)c3)N2)cc1.
What is the InChIKey of 9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole?
The InChIKey is FXMJESJECHNZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-3-13-33(14-4-1)41-20-12-24-47-49(41)44-19-9-10-23-46(44)57(47)38-28-30-42-43-21-11-22-45(50(43)58-48(42)32-38)53-55-51(35-16-5-2-6-17-35)54-52(56-53)37-27-29-40-36(31-37)26-25-34-15-7-8-18-39(34)40/h1-32,53H,(H,54,55,56).
What are the key properties of 9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole?
9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole has a molecular weight of 742.88 g/mol, XLogP of 13.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole is sourced from PubChem (CID 163568836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).