4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline

C58H43N3 — CID 146269861

IUPAC4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline
SMILESC1=CCC(N(c2ccccc2)c2ccc(-c3cccc4c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5n(-c5cccc6ccccc56)c34)cc2)C=C1
InChIInChI=1S/C58H43N3/c1-5-19-46(20-6-1)59(47-21-7-2-8-22-47)50-36-31-42(32-37-50)45-35-40-57-55(41-45)54-29-16-28-53(58(54)61(57)56-30-15-18-43-17-13-14-27-52(43)56)44-33-38-51(39-34-44)60(48-23-9-3-10-24-48)49-25-11-4-12-26-49/h1-25,27-41,49H,26H2
InChIKeyMQGLUKCXNUXTHZ-UHFFFAOYSA-N
MW782.00 g/mol
LogP15.76
Rot. Bonds9

About 4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline

4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline (PubChem CID 146269861) has the molecular formula C58H43N3 and a molecular weight of 782.00 g/mol. Its IUPAC name is 4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline
PubChem CID146269861
Molecular FormulaC58H43N3
Molecular Weight782.00 g/mol
Exact Mass781.35
IUPAC Name4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline
SMILESC1=CCC(N(c2ccccc2)c2ccc(-c3cccc4c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5n(-c5cccc6ccccc56)c34)cc2)C=C1
InChIInChI=1S/C58H43N3/c1-5-19-46(20-6-1)59(47-21-7-2-8-22-47)50-36-31-42(32-37-50)45-35-40-57-55(41-45)54-29-16-28-53(58(54)61(57)56-30-15-18-43-17-13-14-27-52(43)56)44-33-38-51(39-34-44)60(48-23-9-3-10-24-48)49-25-11-4-12-26-49/h1-25,27-41,49H,26H2
InChIKeyMQGLUKCXNUXTHZ-UHFFFAOYSA-N
XLogP15.76
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.00
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline 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-N-cyclohexa-2,4-dien-1-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 129300989
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
CID 144687013
N-cyclohexa-2,4-dien-1-yl-4-[27-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-18-[4-(N-phenylanilino)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-9-yl]-N-phenylaniline
CID 131994501
6-N-cyclohexa-2,4-dien-1-yl-9,10-di(phenanthren-2-yl)-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
CID 89049797
4-[4-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-10-phenanthren-9-yl-3-phenyltriphenylen-1-yl]-N,N-diphenylaniline
CID 89083595
N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103056
4-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)-1-methylcyclohex-3-en-1-yl]-9-naphthalen-2-ylcarbazol-3-yl]-N,N-diphenylaniline
CID 166723467
9-[10-(N-cyclohexa-2,4-dien-1-ylanilino)-5-(N-phenylanilino)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl]carbazole-1,8-dicarbonitrile
CID 174063043
N-cyclohexa-2,4-dien-1-yl-N-[4-(4-methylphenyl)phenyl]-3-triphenylen-2-ylaniline;ethane;2-(3-methylphenyl)triphenylene;toluene
CID 145321587
1-(4-tert-butylphenyl)-N-cyclohexa-2,4-dien-1-yl-5-(2-cyclohexa-1,3-dien-1-yl-1-naphthalen-1-ylindol-5-yl)-N-phenylindol-2-amine
CID 71229867
N-cyclohexa-2,4-dien-1-yl-N-[4-(26,26-dimethyl-8-azanonacyclo[17.16.3.02,7.08,36.09,14.015,38.020,25.027,32.033,37]octatriaconta-1(36),2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31,33(37),34-octadecaen-17-yl)phenyl]-2,4-diphenylaniline
CID 170123652

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline (CID 146269861) is 4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline is C1=CCC(N(c2ccccc2)c2ccc(-c3cccc4c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5n(-c5cccc6ccccc56)c34)cc2)C=C1.
What is the InChIKey of 4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline?
The InChIKey is MQGLUKCXNUXTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N3/c1-5-19-46(20-6-1)59(47-21-7-2-8-22-47)50-36-31-42(32-37-50)45-35-40-57-55(41-45)54-29-16-28-53(58(54)61(57)56-30-15-18-43-17-13-14-27-52(43)56)44-33-38-51(39-34-44)60(48-23-9-3-10-24-48)49-25-11-4-12-26-49/h1-25,27-41,49H,26H2.
What are the key properties of 4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline?
4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline has a molecular weight of 782.00 g/mol, XLogP of 15.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 146269861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).