4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran

C129H84O3 — CID 159547141

IUPAC4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cccc23)cc1.c1ccc(-c2cccc3c2oc2c(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)cccc23)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)cccc23)cc1
InChIInChI=1S/3C43H28O/c1-3-15-29(16-4-1)31-22-13-24-36-37-25-14-23-35(42(37)44-41(31)36)34-21-9-12-28-40(34)43(30-17-5-2-6-18-30)38-26-10-7-19-32(38)33-20-8-11-27-39(33)43;1-3-14-29(15-4-1)33-22-12-24-37-38-25-13-23-34(42(38)44-41(33)37)30-16-11-19-32(28-30)43(31-17-5-2-6-18-31)39-26-9-7-20-35(39)36-21-8-10-27-40(36)43;1-3-13-29(14-4-1)33-19-11-21-37-38-22-12-20-34(42(38)44-41(33)37)30-25-27-32(28-26-30)43(31-15-5-2-6-16-31)39-23-9-7-17-35(39)36-18-8-10-24-40(36)43/h3*1-28H
InChIKeyMEYFFGKEIVMWKI-UHFFFAOYSA-N
MW1682.09 g/mol
LogP33.85
Rot. Bonds12

About 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran

4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran (PubChem CID 159547141) has the molecular formula C129H84O3 and a molecular weight of 1682.09 g/mol. Its IUPAC name is 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
PubChem CID159547141
Molecular FormulaC129H84O3
Molecular Weight1682.09 g/mol
Exact Mass1680.64
IUPAC Name4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cccc23)cc1.c1ccc(-c2cccc3c2oc2c(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)cccc23)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)cccc23)cc1
InChIInChI=1S/3C43H28O/c1-3-15-29(16-4-1)31-22-13-24-36-37-25-14-23-35(42(37)44-41(31)36)34-21-9-12-28-40(34)43(30-17-5-2-6-18-30)38-26-10-7-19-32(38)33-20-8-11-27-39(33)43;1-3-14-29(15-4-1)33-22-12-24-37-38-25-13-23-34(42(38)44-41(33)37)30-16-11-19-32(28-30)43(31-17-5-2-6-18-31)39-26-9-7-20-35(39)36-21-8-10-27-40(36)43;1-3-13-29(14-4-1)33-19-11-21-37-38-22-12-20-34(42(38)44-41(33)37)30-25-27-32(28-26-30)43(31-15-5-2-6-16-31)39-23-9-7-17-35(39)36-18-8-10-24-40(36)43/h3*1-28H
InChIKeyMEYFFGKEIVMWKI-UHFFFAOYSA-N
XLogP33.85
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms132
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001682.09
LogP ≤ 533.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran?
The IUPAC name of 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran (CID 159547141) is 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran is c1ccc(-c2cccc3c2oc2c(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cccc23)cc1.c1ccc(-c2cccc3c2oc2c(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)cccc23)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)cccc23)cc1.
What is the InChIKey of 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran?
The InChIKey is MEYFFGKEIVMWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C43H28O/c1-3-15-29(16-4-1)31-22-13-24-36-37-25-14-23-35(42(37)44-41(31)36)34-21-9-12-28-40(34)43(30-17-5-2-6-18-30)38-26-10-7-19-32(38)33-20-8-11-27-39(33)43;1-3-14-29(15-4-1)33-22-12-24-37-38-25-13-23-34(42(38)44-41(33)37)30-16-11-19-32(28-30)43(31-17-5-2-6-18-31)39-26-9-7-20-35(39)36-21-8-10-27-40(36)43;1-3-13-29(14-4-1)33-19-11-21-37-38-22-12-20-34(42(38)44-41(33)37)30-25-27-32(28-26-30)43(31-15-5-2-6-16-31)39-23-9-7-17-35(39)36-18-8-10-24-40(36)43/h3*1-28H.
What are the key properties of 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran?
4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran has a molecular weight of 1682.09 g/mol, XLogP of 33.85, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 159547141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).