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

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

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

Launch Full Analysis

Related Compounds

N-[4-[(1Z)-1-[3-ethylidene-7-(9-phenylcarbazol-3-yl)-1-benzofuran-2-ylidene]ethyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90120397
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497222
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
28-(4-carbazol-9-ylphenyl)-24-phenyl-14-oxa-24-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,15,17,19,21,23(31),25(30),26,28-pentadecaene
CID 130294395
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924

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).