3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole

C48H34N2O — CID 123326840

IUPAC3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC=c1c(=C(C)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)oc2ccccc12
InChIInChI=1S/C48H34N2O/c1-3-37-40-17-9-12-20-47(40)51-48(37)31(2)32-21-25-36(26-22-32)50-44-19-11-8-16-39(44)42-30-34(24-28-46(42)50)33-23-27-45-41(29-33)38-15-7-10-18-43(38)49(45)35-13-5-4-6-14-35/h3-30H,1-2H3
InChIKeyPYEYAONUSMCHJG-UHFFFAOYSA-N
MW654.81 g/mol
LogP11.31
Rot. Bonds4

About 3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 123326840) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is 3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID123326840
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC Name3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC=c1c(=C(C)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)oc2ccccc12
InChIInChI=1S/C48H34N2O/c1-3-37-40-17-9-12-20-47(40)51-48(37)31(2)32-21-25-36(26-22-32)50-44-19-11-8-16-39(44)42-30-34(24-28-46(42)50)33-23-27-45-41(29-33)38-15-7-10-18-43(38)49(45)35-13-5-4-6-14-35/h3-30H,1-2H3
InChIKeyPYEYAONUSMCHJG-UHFFFAOYSA-N
XLogP11.31
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 123326840) is 3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole is CC=c1c(=C(C)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)oc2ccccc12.
What is the InChIKey of 3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is PYEYAONUSMCHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O/c1-3-37-40-17-9-12-20-47(40)51-48(37)31(2)32-21-25-36(26-22-32)50-44-19-11-8-16-39(44)42-30-34(24-28-46(42)50)33-23-27-45-41(29-33)38-15-7-10-18-43(38)49(45)35-13-5-4-6-14-35/h3-30H,1-2H3.
What are the key properties of 3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 654.81 g/mol, XLogP of 11.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-[1-(3-ethylidene-1-benzofuran-2-ylidene)ethyl]phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 123326840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).