4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline

C95H114N18O — CID 158089684

IUPAC4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline
SMILESCCCCCC1CCC(C(=O)N2CCN(c3ccc(/N=N/c4ccc(/N=N/c5ccc(/N=N/c6ccc(CCCC)cc6)cc5)c(C)c4)cc3)CC2)CC1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(N(CC)CC)cc3C)cc2)cc1.CCN(CC)c1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C45H56N8O.C27H33N5.C23H25N5/c1-4-6-8-10-36-11-15-37(16-12-36)45(54)53-31-29-52(30-32-53)43-26-23-41(24-27-43)48-50-42-25-28-44(34(3)33-42)51-49-40-21-19-39(20-22-40)47-46-38-17-13-35(14-18-38)9-7-5-2;1-5-8-9-22-10-12-23(13-11-22)28-29-24-14-16-25(17-15-24)30-31-27-19-18-26(20-21(27)4)32(6-2)7-3;1-4-28(5-2)22-15-16-23(18(3)17-22)27-26-21-13-11-20(12-14-21)25-24-19-9-7-6-8-10-19/h13-14,17-28,33,36-37H,4-12,15-16,29-32H2,1-3H3;10-20H,5-9H2,1-4H3;6-17H,4-5H2,1-3H3/b47-46+,50-48+,51-49+;29-28+,31-30+;25-24+,27-26+
InChIKeyFNYGOLRZDKKNQN-NHLRQLOBSA-N
MW1524.08 g/mol
LogP30.31
Rot. Bonds32

About 4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline

4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline (PubChem CID 158089684) has the molecular formula C95H114N18O and a molecular weight of 1524.08 g/mol. Its IUPAC name is 4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline.

Molecular Properties

Compound Name4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline
PubChem CID158089684
Molecular FormulaC95H114N18O
Molecular Weight1524.08 g/mol
Exact Mass1522.94
IUPAC Name4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline
SMILESCCCCCC1CCC(C(=O)N2CCN(c3ccc(/N=N/c4ccc(/N=N/c5ccc(/N=N/c6ccc(CCCC)cc6)cc5)c(C)c4)cc3)CC2)CC1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(N(CC)CC)cc3C)cc2)cc1.CCN(CC)c1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C45H56N8O.C27H33N5.C23H25N5/c1-4-6-8-10-36-11-15-37(16-12-36)45(54)53-31-29-52(30-32-53)43-26-23-41(24-27-43)48-50-42-25-28-44(34(3)33-42)51-49-40-21-19-39(20-22-40)47-46-38-17-13-35(14-18-38)9-7-5-2;1-5-8-9-22-10-12-23(13-11-22)28-29-24-14-16-25(17-15-24)30-31-27-19-18-26(20-21(27)4)32(6-2)7-3;1-4-28(5-2)22-15-16-23(18(3)17-22)27-26-21-13-11-20(12-14-21)25-24-19-9-7-6-8-10-19/h13-14,17-28,33,36-37H,4-12,15-16,29-32H2,1-3H3;10-20H,5-9H2,1-4H3;6-17H,4-5H2,1-3H3/b47-46+,50-48+,51-49+;29-28+,31-30+;25-24+,27-26+
InChIKeyFNYGOLRZDKKNQN-NHLRQLOBSA-N
XLogP30.31
TPSA203.07 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001524.08
LogP ≤ 530.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline?
The IUPAC name of 4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline (CID 158089684) is 4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline.
What is the SMILES notation for 4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline?
The canonical SMILES for 4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline is CCCCCC1CCC(C(=O)N2CCN(c3ccc(/N=N/c4ccc(/N=N/c5ccc(/N=N/c6ccc(CCCC)cc6)cc5)c(C)c4)cc3)CC2)CC1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(N(CC)CC)cc3C)cc2)cc1.CCN(CC)c1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c(C)c1.
What is the InChIKey of 4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline?
The InChIKey is FNYGOLRZDKKNQN-NHLRQLOBSA-N. The full InChI is InChI=1S/C45H56N8O.C27H33N5.C23H25N5/c1-4-6-8-10-36-11-15-37(16-12-36)45(54)53-31-29-52(30-32-53)43-26-23-41(24-27-43)48-50-42-25-28-44(34(3)33-42)51-49-40-21-19-39(20-22-40)47-46-38-17-13-35(14-18-38)9-7-5-2;1-5-8-9-22-10-12-23(13-11-22)28-29-24-14-16-25(17-15-24)30-31-27-19-18-26(20-21(27)4)32(6-2)7-3;1-4-28(5-2)22-15-16-23(18(3)17-22)27-26-21-13-11-20(12-14-21)25-24-19-9-7-6-8-10-19/h13-14,17-28,33,36-37H,4-12,15-16,29-32H2,1-3H3;10-20H,5-9H2,1-4H3;6-17H,4-5H2,1-3H3/b47-46+,50-48+,51-49+;29-28+,31-30+;25-24+,27-26+.
What are the key properties of 4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline?
4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline has a molecular weight of 1524.08 g/mol, XLogP of 30.31, 32 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline;[4-[4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]phenyl]piperazin-1-yl]-(4-pentylcyclohexyl)methanone;N,N-diethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline is sourced from PubChem (CID 158089684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).