4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine

C34H39N5 — CID 20761205

IUPAC4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(N(/N=C/c2ccc3c(c2)c2ccccc2n3C)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C34H39N5/c1-6-37(7-2)27-15-19-29(20-16-27)39(30-21-17-28(18-22-30)38(8-3)9-4)35-25-26-14-23-34-32(24-26)31-12-10-11-13-33(31)36(34)5/h10-25H,6-9H2,1-5H3/b35-25+
InChIKeyXIHDPLHOELFLDV-KVQDIILNSA-N
MW517.72 g/mol
LogP8.20
Rot. Bonds10

About 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine

4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine (PubChem CID 20761205) has the molecular formula C34H39N5 and a molecular weight of 517.72 g/mol. Its IUPAC name is 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine
PubChem CID20761205
Molecular FormulaC34H39N5
Molecular Weight517.72 g/mol
Exact Mass517.32
IUPAC Name4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(N(/N=C/c2ccc3c(c2)c2ccccc2n3C)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C34H39N5/c1-6-37(7-2)27-15-19-29(20-16-27)39(30-21-17-28(18-22-30)38(8-3)9-4)35-25-26-14-23-34-32(24-26)31-12-10-11-13-33(31)36(34)5/h10-25H,6-9H2,1-5H3/b35-25+
InChIKeyXIHDPLHOELFLDV-KVQDIILNSA-N
XLogP8.20
TPSA27.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.72
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline
CID 58681613
N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline
CID 72620759
N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 14982033
N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 59922674
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline
CID 87966041
4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 22900228
N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 20650346
N'-[(E)-(9-heptylcarbazol-3-yl)methylideneamino]-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-N,N'-diphenylpentane-1,5-diamine
CID 21057530
5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine
CID 59696037
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine
CID 70841410
N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline
CID 74016610
N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline
CID 54328629

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine (CID 20761205) is 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine is CCN(CC)c1ccc(N(/N=C/c2ccc3c(c2)c2ccccc2n3C)c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine?
The InChIKey is XIHDPLHOELFLDV-KVQDIILNSA-N. The full InChI is InChI=1S/C34H39N5/c1-6-37(7-2)27-15-19-29(20-16-27)39(30-21-17-28(18-22-30)38(8-3)9-4)35-25-26-14-23-34-32(24-26)31-12-10-11-13-33(31)36(34)5/h10-25H,6-9H2,1-5H3/b35-25+.
What are the key properties of 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine?
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine has a molecular weight of 517.72 g/mol, XLogP of 8.20, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine is sourced from PubChem (CID 20761205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).