2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene

C58H46N2O — CID 143952677

IUPAC2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.Nc1c(OCc2ccc(-c3ccccc3-c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cccc1-c1ccc2ccccc2c1
InChIInChI=1S/C53H38N2O.C5H8/c54-53-45(41-29-28-37-12-1-2-13-40(37)34-41)20-11-23-52(53)56-35-36-24-26-38(27-25-36)43-14-3-5-16-46(43)47-17-6-4-15-44(47)39-30-32-42(33-31-39)55-50-21-9-7-18-48(50)49-19-8-10-22-51(49)55;1-3-5-4-2/h1-34H,35,54H2;3-5H,1H2,2H3/b;5-4-
InChIKeyNSJRHOOXEZSTGG-GUHKXDMSSA-N
MW787.02 g/mol
LogP15.51
Rot. Bonds9

About 2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene

2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene (PubChem CID 143952677) has the molecular formula C58H46N2O and a molecular weight of 787.02 g/mol. Its IUPAC name is 2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Name2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene
PubChem CID143952677
Molecular FormulaC58H46N2O
Molecular Weight787.02 g/mol
Exact Mass786.36
IUPAC Name2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.Nc1c(OCc2ccc(-c3ccccc3-c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cccc1-c1ccc2ccccc2c1
InChIInChI=1S/C53H38N2O.C5H8/c54-53-45(41-29-28-37-12-1-2-13-40(37)34-41)20-11-23-52(53)56-35-36-24-26-38(27-25-36)43-14-3-5-16-46(43)47-17-6-4-15-44(47)39-30-32-42(33-31-39)55-50-21-9-7-18-48(50)49-19-8-10-22-51(49)55;1-3-5-4-2/h1-34H,35,54H2;3-5H,1H2,2H3/b;5-4-
InChIKeyNSJRHOOXEZSTGG-GUHKXDMSSA-N
XLogP15.51
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.02
LogP ≤ 515.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene 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

3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene
CID 145210805
9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
CID 177074752
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)carbazole
CID 177074694
2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline
CID 142745279
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703
1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine
CID 167454018
3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158169511
9-[4-[2-[2-[4-(3,5-dinaphthalen-2-yl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501300
3,6-dinaphthalen-1-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;3,6-dinaphthalen-2-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 161091193
(3Z)-penta-1,3-diene;3-(9-phenylcarbazol-3-yl)-9-[2-(3-phenylphenyl)phenyl]carbazole
CID 142314955
1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione
CID 102129273
(9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene
CID 145167452

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene?
The IUPAC name of 2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene (CID 143952677) is 2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene.
What is the SMILES notation for 2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene?
The canonical SMILES for 2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene is C=C/C=C\C.Nc1c(OCc2ccc(-c3ccccc3-c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cccc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene?
The InChIKey is NSJRHOOXEZSTGG-GUHKXDMSSA-N. The full InChI is InChI=1S/C53H38N2O.C5H8/c54-53-45(41-29-28-37-12-1-2-13-40(37)34-41)20-11-23-52(53)56-35-36-24-26-38(27-25-36)43-14-3-5-16-46(43)47-17-6-4-15-44(47)39-30-32-42(33-31-39)55-50-21-9-7-18-48(50)49-19-8-10-22-51(49)55;1-3-5-4-2/h1-34H,35,54H2;3-5H,1H2,2H3/b;5-4-.
What are the key properties of 2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene?
2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene has a molecular weight of 787.02 g/mol, XLogP of 15.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]methoxy]-6-naphthalen-2-ylaniline;(3Z)-penta-1,3-diene is sourced from PubChem (CID 143952677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).