9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine

C62H63N7 — CID 177397871

IUPAC9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine
SMILESCCCCC(CC)Cn1c2ccc(N(c3ccc(C)cc3)c3ccc(/C=N/N(C)c4ccccc4)cc3)cc2c2cc(N(c3ccc(C)cc3)c3ccc(/C=N/N(C)c4ccccc4)cc3)ccc21
InChIInChI=1S/C62H63N7/c1-7-9-16-48(8-2)45-67-61-39-37-57(68(53-29-21-46(3)22-30-53)55-33-25-49(26-34-55)43-63-65(5)51-17-12-10-13-18-51)41-59(61)60-42-58(38-40-62(60)67)69(54-31-23-47(4)24-32-54)56-35-27-50(28-36-56)44-64-66(6)52-19-14-11-15-20-52/h10-15,17-44,48H,7-9,16,45H2,1-6H3/b63-43+,64-44+
InChIKeyIACAYSZQOIUNLE-GEPWDMARSA-N
MW906.24 g/mol
LogP16.51
Rot. Bonds18

About 9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine

9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine (PubChem CID 177397871) has the molecular formula C62H63N7 and a molecular weight of 906.24 g/mol. Its IUPAC name is 9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine.

Molecular Properties

Compound Name9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine
PubChem CID177397871
Molecular FormulaC62H63N7
Molecular Weight906.24 g/mol
Exact Mass905.51
IUPAC Name9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine
SMILESCCCCC(CC)Cn1c2ccc(N(c3ccc(C)cc3)c3ccc(/C=N/N(C)c4ccccc4)cc3)cc2c2cc(N(c3ccc(C)cc3)c3ccc(/C=N/N(C)c4ccccc4)cc3)ccc21
InChIInChI=1S/C62H63N7/c1-7-9-16-48(8-2)45-67-61-39-37-57(68(53-29-21-46(3)22-30-53)55-33-25-49(26-34-55)43-63-65(5)51-17-12-10-13-18-51)41-59(61)60-42-58(38-40-62(60)67)69(54-31-23-47(4)24-32-54)56-35-27-50(28-36-56)44-64-66(6)52-19-14-11-15-20-52/h10-15,17-44,48H,7-9,16,45H2,1-6H3/b63-43+,64-44+
InChIKeyIACAYSZQOIUNLE-GEPWDMARSA-N
XLogP16.51
TPSA42.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.24
LogP ≤ 516.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine with MolForge

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Related Compounds

N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline
CID 20719215
N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59404159
N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline
CID 54328629
ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline
CID 145203938
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
3,6-bis(9-butylcarbazol-3-yl)-9-(2-ethylhexyl)carbazole
CID 102226013
9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide
CID 100974240
6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene
CID 142539039
N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940
4-N-[4-[4-[4-[[9-(2-ethylhexyl)-6-methanimidoylcarbazol-3-yl]methylideneamino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 122365452
tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline
CID 160900828
N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 20650346

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine?
The IUPAC name of 9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine (CID 177397871) is 9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine.
What is the SMILES notation for 9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine?
The canonical SMILES for 9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine is CCCCC(CC)Cn1c2ccc(N(c3ccc(C)cc3)c3ccc(/C=N/N(C)c4ccccc4)cc3)cc2c2cc(N(c3ccc(C)cc3)c3ccc(/C=N/N(C)c4ccccc4)cc3)ccc21.
What is the InChIKey of 9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine?
The InChIKey is IACAYSZQOIUNLE-GEPWDMARSA-N. The full InChI is InChI=1S/C62H63N7/c1-7-9-16-48(8-2)45-67-61-39-37-57(68(53-29-21-46(3)22-30-53)55-33-25-49(26-34-55)43-63-65(5)51-17-12-10-13-18-51)41-59(61)60-42-58(38-40-62(60)67)69(54-31-23-47(4)24-32-54)56-35-27-50(28-36-56)44-64-66(6)52-19-14-11-15-20-52/h10-15,17-44,48H,7-9,16,45H2,1-6H3/b63-43+,64-44+.
What are the key properties of 9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine?
9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine has a molecular weight of 906.24 g/mol, XLogP of 16.51, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine is sourced from PubChem (CID 177397871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).