2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran

C42H24O2 — CID 59282074

IUPAC2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3cc4cc(-c5ccc6oc7ccccc7c6c5)c5ccccc5c4c4ccccc34)cc12
InChIInChI=1S/C42H24O2/c1-3-13-32-28(9-1)34(25-17-19-40-36(21-25)30-11-5-7-15-38(30)43-40)23-27-24-35(29-10-2-4-14-33(29)42(27)32)26-18-20-41-37(22-26)31-12-6-8-16-39(31)44-41/h1-24H
InChIKeyGFERCQCWHGXNEM-UHFFFAOYSA-N
MW560.65 g/mol
LogP12.28
Rot. Bonds2

About 2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran

2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran (PubChem CID 59282074) has the molecular formula C42H24O2 and a molecular weight of 560.65 g/mol. Its IUPAC name is 2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran.

Molecular Properties

Compound Name2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran
PubChem CID59282074
Molecular FormulaC42H24O2
Molecular Weight560.65 g/mol
Exact Mass560.18
IUPAC Name2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3cc4cc(-c5ccc6oc7ccccc7c6c5)c5ccccc5c4c4ccccc34)cc12
InChIInChI=1S/C42H24O2/c1-3-13-32-28(9-1)34(25-17-19-40-36(21-25)30-11-5-7-15-38(30)43-40)23-27-24-35(29-10-2-4-14-33(29)42(27)32)26-18-20-41-37(22-26)31-12-6-8-16-39(31)44-41/h1-24H
InChIKeyGFERCQCWHGXNEM-UHFFFAOYSA-N
XLogP12.28
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran
CID 58569083
2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-8-phenanthren-9-yldibenzofuran
CID 58569484
2,4-di(dibenzofuran-2-yl)-6-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-1,3,5-triazine
CID 137393567
9-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185533
2-(35-dibenzofuran-2-yl-6,24-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.022,34.023,31.025,30]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23(31),25,27,29,32,34-heptadecaen-17-yl)dibenzofuran
CID 89416920
2-(2-methylphenyl)dibenzofuran
CID 118188503
2-[10-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)anthracen-9-yl]dibenzofuran
CID 167411828
5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 134487561
2-[6-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)naphthalen-2-yl]-8-phenyldibenzofuran
CID 58569882
2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran
CID 58323672
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran?
The IUPAC name of 2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran (CID 59282074) is 2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran.
What is the SMILES notation for 2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran?
The canonical SMILES for 2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran is c1ccc2c(c1)oc1ccc(-c3cc4cc(-c5ccc6oc7ccccc7c6c5)c5ccccc5c4c4ccccc34)cc12.
What is the InChIKey of 2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran?
The InChIKey is GFERCQCWHGXNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24O2/c1-3-13-32-28(9-1)34(25-17-19-40-36(21-25)30-11-5-7-15-38(30)43-40)23-27-24-35(29-10-2-4-14-33(29)42(27)32)26-18-20-41-37(22-26)31-12-6-8-16-39(31)44-41/h1-24H.
What are the key properties of 2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran?
2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran has a molecular weight of 560.65 g/mol, XLogP of 12.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran is sourced from PubChem (CID 59282074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).