4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran

C136H84O4 — CID 162114359

IUPAC4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2cccc3c2oc2ccccc23)c(-c2cc3ccccc3c3ccccc23)c1.c1ccc2c(c1)cc(-c1ccc(-c3cccc4c3oc3ccccc34)c3ccccc13)c1ccccc12.c1ccc2c(c1)cc(-c1cccc3c(-c4cccc5c4oc4ccccc45)cccc13)c1ccccc12
InChIInChI=1S/2C36H22O.2C32H20O/c1-2-11-24-23(10-1)22-34(28-15-6-3-12-25(24)28)30-21-20-29(26-13-4-5-14-27(26)30)32-17-9-18-33-31-16-7-8-19-35(31)37-36(32)33;1-2-11-24-23(10-1)22-34(29-13-4-3-12-25(24)29)30-18-8-15-26-27(30)16-7-17-28(26)32-19-9-20-33-31-14-5-6-21-35(31)37-36(32)33;1-2-11-22-21(10-1)20-30(25-14-5-3-12-23(22)25)26-15-6-4-13-24(26)28-17-9-18-29-27-16-7-8-19-31(27)33-32(28)29;1-2-12-24-23(9-1)20-30(27-14-4-3-13-26(24)27)22-11-7-10-21(19-22)25-16-8-17-29-28-15-5-6-18-31(28)33-32(25)29/h2*1-22H;2*1-20H
InChIKeyZGOKPZLESLLWTB-UHFFFAOYSA-N
MW1782.16 g/mol
LogP39.21
Rot. Bonds8

About 4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran

4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran (PubChem CID 162114359) has the molecular formula C136H84O4 and a molecular weight of 1782.16 g/mol. Its IUPAC name is 4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran.

Molecular Properties

Compound Name4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran
PubChem CID162114359
Molecular FormulaC136H84O4
Molecular Weight1782.16 g/mol
Exact Mass1780.64
IUPAC Name4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2cccc3c2oc2ccccc23)c(-c2cc3ccccc3c3ccccc23)c1.c1ccc2c(c1)cc(-c1ccc(-c3cccc4c3oc3ccccc34)c3ccccc13)c1ccccc12.c1ccc2c(c1)cc(-c1cccc3c(-c4cccc5c4oc4ccccc45)cccc13)c1ccccc12
InChIInChI=1S/2C36H22O.2C32H20O/c1-2-11-24-23(10-1)22-34(28-15-6-3-12-25(24)28)30-21-20-29(26-13-4-5-14-27(26)30)32-17-9-18-33-31-16-7-8-19-35(31)37-36(32)33;1-2-11-24-23(10-1)22-34(29-13-4-3-12-25(24)29)30-18-8-15-26-27(30)16-7-17-28(26)32-19-9-20-33-31-14-5-6-21-35(31)37-36(32)33;1-2-11-22-21(10-1)20-30(25-14-5-3-12-23(22)25)26-15-6-4-13-24(26)28-17-9-18-29-27-16-7-8-19-31(27)33-32(28)29;1-2-12-24-23(9-1)20-30(27-14-4-3-13-26(24)27)22-11-7-10-21(19-22)25-16-8-17-29-28-15-5-6-18-31(28)33-32(25)29/h2*1-22H;2*1-20H
InChIKeyZGOKPZLESLLWTB-UHFFFAOYSA-N
XLogP39.21
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001782.16
LogP ≤ 539.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran with MolForge

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Related Compounds

4-[2-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran;4-[2-(4-phenanthren-9-ylphenyl)phenyl]dibenzofuran;4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzofuran
CID 158579416
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 155763962
2,4-di(dibenzofuran-4-yl)-6-(4-phenanthren-9-yl-2-phenylphenyl)-1,3,5-triazine
CID 163801076
4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran
CID 87688488
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
2-dibenzofuran-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 155763929
2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481415
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 58194573
12-(3-phenanthren-9-ylphenyl)-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 163499013
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167234101

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran?
The IUPAC name of 4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran (CID 162114359) is 4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran.
What is the SMILES notation for 4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran?
The canonical SMILES for 4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran is c1cc(-c2cc3ccccc3c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2cccc3c2oc2ccccc23)c(-c2cc3ccccc3c3ccccc23)c1.c1ccc2c(c1)cc(-c1ccc(-c3cccc4c3oc3ccccc34)c3ccccc13)c1ccccc12.c1ccc2c(c1)cc(-c1cccc3c(-c4cccc5c4oc4ccccc45)cccc13)c1ccccc12.
What is the InChIKey of 4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran?
The InChIKey is ZGOKPZLESLLWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H22O.2C32H20O/c1-2-11-24-23(10-1)22-34(28-15-6-3-12-25(24)28)30-21-20-29(26-13-4-5-14-27(26)30)32-17-9-18-33-31-16-7-8-19-35(31)37-36(32)33;1-2-11-24-23(10-1)22-34(29-13-4-3-12-25(24)29)30-18-8-15-26-27(30)16-7-17-28(26)32-19-9-20-33-31-14-5-6-21-35(31)37-36(32)33;1-2-11-22-21(10-1)20-30(25-14-5-3-12-23(22)25)26-15-6-4-13-24(26)28-17-9-18-29-27-16-7-8-19-31(27)33-32(28)29;1-2-12-24-23(9-1)20-30(27-14-4-3-13-26(24)27)22-11-7-10-21(19-22)25-16-8-17-29-28-15-5-6-18-31(28)33-32(25)29/h2*1-22H;2*1-20H.
What are the key properties of 4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran?
4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran has a molecular weight of 1782.16 g/mol, XLogP of 39.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran is sourced from PubChem (CID 162114359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).