2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine

C43H32N2O — CID 88905815

IUPAC2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine
SMILESCc1cc(C)c(-c2nc3c4ccccc4c4ccccc4c3nc2-c2cccc(-c3cccc4c5c(oc34)C=CCC5)c2)c(C)c1
InChIInChI=1S/C43H32N2O/c1-25-22-26(2)38(27(3)23-25)42-39(44-40-34-17-6-4-14-31(34)32-15-5-7-18-35(32)41(40)45-42)29-13-10-12-28(24-29)30-19-11-20-36-33-16-8-9-21-37(33)46-43(30)36/h4-7,9-15,17-24H,8,16H2,1-3H3
InChIKeyJTQHSTWDBZWQED-UHFFFAOYSA-N
MW592.74 g/mol
LogP11.57
Rot. Bonds3

About 2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine

2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine (PubChem CID 88905815) has the molecular formula C43H32N2O and a molecular weight of 592.74 g/mol. Its IUPAC name is 2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine
PubChem CID88905815
Molecular FormulaC43H32N2O
Molecular Weight592.74 g/mol
Exact Mass592.25
IUPAC Name2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine
SMILESCc1cc(C)c(-c2nc3c4ccccc4c4ccccc4c3nc2-c2cccc(-c3cccc4c5c(oc34)C=CCC5)c2)c(C)c1
InChIInChI=1S/C43H32N2O/c1-25-22-26(2)38(27(3)23-25)42-39(44-40-34-17-6-4-14-31(34)32-15-5-7-18-35(32)41(40)45-42)29-13-10-12-28(24-29)30-19-11-20-36-33-16-8-9-21-37(33)46-43(30)36/h4-7,9-15,17-24H,8,16H2,1-3H3
InChIKeyJTQHSTWDBZWQED-UHFFFAOYSA-N
XLogP11.57
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.74
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole
CID 87171652
6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 88564296
3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 58410142
2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 174310954
N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline
CID 170092461
6-bromo-1,2-dihydrodibenzofuran
CID 121420689
4-[4-[8-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]pyren-1-yl]phenyl]dibenzofuran
CID 88912607
3-[3-(2,6,8-triphenyldibenzofuran-4-yl)phenyl]-9,10-dihydrophenanthro[9,10-b]pyrazine
CID 71289228
9-[10-(8,9-dihydrodibenzofuran-4-yl)phenanthren-9-yl]fluoren-9-ol
CID 163459929
ethane;N-phenyl-8,9-dihydrodibenzofuran-4-amine
CID 145105452
12-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene
CID 170014185

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine (CID 88905815) is 2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine is Cc1cc(C)c(-c2nc3c4ccccc4c4ccccc4c3nc2-c2cccc(-c3cccc4c5c(oc34)C=CCC5)c2)c(C)c1.
What is the InChIKey of 2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine?
The InChIKey is JTQHSTWDBZWQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2O/c1-25-22-26(2)38(27(3)23-25)42-39(44-40-34-17-6-4-14-31(34)32-15-5-7-18-35(32)41(40)45-42)29-13-10-12-28(24-29)30-19-11-20-36-33-16-8-9-21-37(33)46-43(30)36/h4-7,9-15,17-24H,8,16H2,1-3H3.
What are the key properties of 2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine?
2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine has a molecular weight of 592.74 g/mol, XLogP of 11.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88905815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).