2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran

C123H78O3 — CID 159977483

IUPAC2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran
SMILESCc1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5ccccc5-c5ccc6c(c5)oc5ccccc56)ccc5ccc2c3c54)cc1
InChIInChI=1S/3C41H26O/c1-25-9-11-26(12-10-25)32-18-13-27-16-22-37-33(19-14-28-15-21-36(32)40(27)41(28)37)31-6-4-5-29(23-31)30-17-20-35-34-7-2-3-8-38(34)42-39(35)24-30;1-25-10-12-26(13-11-25)31-19-14-27-17-23-37-33(20-15-28-16-22-36(31)40(27)41(28)37)32-7-3-2-6-30(32)29-18-21-35-34-8-4-5-9-38(34)42-39(35)24-29;1-25-6-8-27(9-7-25)32-19-14-29-17-22-36-33(20-15-30-16-21-35(32)40(29)41(30)36)28-12-10-26(11-13-28)31-18-23-39-37(24-31)34-4-2-3-5-38(34)42-39/h3*2-24H,1H3
InChIKeyOFIMJMLMGSFHOP-UHFFFAOYSA-N
MW1603.97 g/mol
LogP35.38
Rot. Bonds9

About 2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran

2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran (PubChem CID 159977483) has the molecular formula C123H78O3 and a molecular weight of 1603.97 g/mol. Its IUPAC name is 2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran
PubChem CID159977483
Molecular FormulaC123H78O3
Molecular Weight1603.97 g/mol
Exact Mass1602.60
IUPAC Name2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran
SMILESCc1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5ccccc5-c5ccc6c(c5)oc5ccccc56)ccc5ccc2c3c54)cc1
InChIInChI=1S/3C41H26O/c1-25-9-11-26(12-10-25)32-18-13-27-16-22-37-33(19-14-28-15-21-36(32)40(27)41(28)37)31-6-4-5-29(23-31)30-17-20-35-34-7-2-3-8-38(34)42-39(35)24-30;1-25-10-12-26(13-11-25)31-19-14-27-17-23-37-33(20-15-28-16-22-36(31)40(27)41(28)37)32-7-3-2-6-30(32)29-18-21-35-34-8-4-5-9-38(34)42-39(35)24-29;1-25-6-8-27(9-7-25)32-19-14-29-17-22-36-33(20-15-30-16-21-35(32)40(29)41(30)36)28-12-10-26(11-13-28)31-18-23-39-37(24-31)34-4-2-3-5-38(34)42-39/h3*2-24H,1H3
InChIKeyOFIMJMLMGSFHOP-UHFFFAOYSA-N
XLogP35.38
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001603.97
LogP ≤ 535.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran with MolForge

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Related Compounds

2-[2-pyren-1-yl-5-(4-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 169303139
2-[3-pyren-1-yl-2-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 169303206
7,10-bis[3-(6-phenylpyren-1-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 170939838
4-dibenzofuran-1-yl-N-[4-(4-dibenzofuran-3-ylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)aniline;4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;4-(3-dibenzofuran-3-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline
CID 167662502
2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650
2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 158099931
1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 161348592
2-dibenzofuran-2-yl-8-pyren-1-yldibenzofuran;4-dibenzofuran-2-yl-1-pyren-1-yldibenzofuran;2-(4-pyren-1-ylnaphthalen-1-yl)dibenzofuran;2-(5-pyren-1-ylnaphthalen-1-yl)dibenzofuran;1-(3-pyren-1-ylphenyl)naphtho[2,3-b][1]benzofuran;7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran
CID 160824717
1-[8-dibenzofuran-1-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran;3-[8-dibenzofuran-3-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran
CID 159957368
4-(4-pyren-1-ylnaphthalen-1-yl)dibenzofuran;4-(6-pyren-1-ylnaphthalen-2-yl)dibenzofuran;4-[3-(4-pyren-1-ylphenyl)phenyl]dibenzofuran;4-[4-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 159155826
1-phenyl-8-pyren-1-yldibenzofuran
CID 170658138
2-(10-phenylanthracen-9-yl)-7-(4-phenylphenyl)dibenzofuran;2-(10-phenylanthracen-9-yl)-8-(3-phenylphenyl)dibenzofuran;8-(10-phenylanthracen-9-yl)-1-(2-phenylphenyl)dibenzofuran
CID 157351443

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran?
The IUPAC name of 2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran (CID 159977483) is 2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran?
The canonical SMILES for 2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran is Cc1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5ccccc5-c5ccc6c(c5)oc5ccccc56)ccc5ccc2c3c54)cc1.
What is the InChIKey of 2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran?
The InChIKey is OFIMJMLMGSFHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C41H26O/c1-25-9-11-26(12-10-25)32-18-13-27-16-22-37-33(19-14-28-15-21-36(32)40(27)41(28)37)31-6-4-5-29(23-31)30-17-20-35-34-7-2-3-8-38(34)42-39(35)24-30;1-25-10-12-26(13-11-25)31-19-14-27-17-23-37-33(20-15-28-16-22-36(31)40(27)41(28)37)32-7-3-2-6-30(32)29-18-21-35-34-8-4-5-9-38(34)42-39(35)24-29;1-25-6-8-27(9-7-25)32-19-14-29-17-22-36-33(20-15-30-16-21-35(32)40(29)41(30)36)28-12-10-26(11-13-28)31-18-23-39-37(24-31)34-4-2-3-5-38(34)42-39/h3*2-24H,1H3.
What are the key properties of 2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran?
2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran has a molecular weight of 1603.97 g/mol, XLogP of 35.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran is sourced from PubChem (CID 159977483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).