2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole

C46H35F2N3 — CID 142704919

IUPAC2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(C(c3ccc(-c4cccc(-c5ccc(F)cc5F)c4)nc3)c3ccc4c5ccccc5n(CC)c4c3)ccc21
InChIInChI=1S/C46H35F2N3/c1-3-50-43-15-8-6-13-37(43)39-25-31(18-23-44(39)50)46(32-16-20-38-36-12-5-7-14-42(36)51(4-2)45(38)26-32)33-17-22-41(49-28-33)30-11-9-10-29(24-30)35-21-19-34(47)27-40(35)48/h5-28,46H,3-4H2,1-2H3
InChIKeyXQKGDAITUBYMDW-UHFFFAOYSA-N
MW667.80 g/mol
LogP12.13
Rot. Bonds7

About 2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole

2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole (PubChem CID 142704919) has the molecular formula C46H35F2N3 and a molecular weight of 667.80 g/mol. Its IUPAC name is 2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole.

Molecular Properties

Compound Name2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole
PubChem CID142704919
Molecular FormulaC46H35F2N3
Molecular Weight667.80 g/mol
Exact Mass667.28
IUPAC Name2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(C(c3ccc(-c4cccc(-c5ccc(F)cc5F)c4)nc3)c3ccc4c5ccccc5n(CC)c4c3)ccc21
InChIInChI=1S/C46H35F2N3/c1-3-50-43-15-8-6-13-37(43)39-25-31(18-23-44(39)50)46(32-16-20-38-36-12-5-7-14-42(36)51(4-2)45(38)26-32)33-17-22-41(49-28-33)30-11-9-10-29(24-30)35-21-19-34(47)27-40(35)48/h5-28,46H,3-4H2,1-2H3
InChIKeyXQKGDAITUBYMDW-UHFFFAOYSA-N
XLogP12.13
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.80
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole?
The IUPAC name of 2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole (CID 142704919) is 2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole.
What is the SMILES notation for 2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole?
The canonical SMILES for 2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole is CCn1c2ccccc2c2cc(C(c3ccc(-c4cccc(-c5ccc(F)cc5F)c4)nc3)c3ccc4c5ccccc5n(CC)c4c3)ccc21.
What is the InChIKey of 2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole?
The InChIKey is XQKGDAITUBYMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35F2N3/c1-3-50-43-15-8-6-13-37(43)39-25-31(18-23-44(39)50)46(32-16-20-38-36-12-5-7-14-42(36)51(4-2)45(38)26-32)33-17-22-41(49-28-33)30-11-9-10-29(24-30)35-21-19-34(47)27-40(35)48/h5-28,46H,3-4H2,1-2H3.
What are the key properties of 2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole?
2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole has a molecular weight of 667.80 g/mol, XLogP of 12.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(2,4-difluorophenyl)phenyl]-3-pyridinyl]-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole is sourced from PubChem (CID 142704919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).