N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine

C48H39N — CID 20733774

IUPACN-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine
SMILESCc1ccc(N(c2ccc(/C=C/c3ccc(C=C4CCCCC4)cc3)cc2)c2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1
InChIInChI=1S/C48H39N/c1-33-16-26-39(27-17-33)49(40-28-24-35(25-29-40)19-18-34-20-22-37(23-21-34)32-36-8-3-2-4-9-36)46-31-30-44-42-13-6-11-38-10-5-12-41(47(38)42)43-14-7-15-45(46)48(43)44/h5-7,10-32H,2-4,8-9H2,1H3/b19-18+
InChIKeyDKBYUYFTPHPGLQ-VHEBQXMUSA-N
MW629.85 g/mol
LogP14.03
Rot. Bonds6

About N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine

N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine (PubChem CID 20733774) has the molecular formula C48H39N and a molecular weight of 629.85 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine
PubChem CID20733774
Molecular FormulaC48H39N
Molecular Weight629.85 g/mol
Exact Mass629.31
IUPAC NameN-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine
SMILESCc1ccc(N(c2ccc(/C=C/c3ccc(C=C4CCCCC4)cc3)cc2)c2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1
InChIInChI=1S/C48H39N/c1-33-16-26-39(27-17-33)49(40-28-24-35(25-29-40)19-18-34-20-22-37(23-21-34)32-36-8-3-2-4-9-36)46-31-30-44-42-13-6-11-38-10-5-12-41(47(38)42)43-14-7-15-45(46)48(43)44/h5-7,10-32H,2-4,8-9H2,1H3/b19-18+
InChIKeyDKBYUYFTPHPGLQ-VHEBQXMUSA-N
XLogP14.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.85
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine
CID 20733639
3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine
CID 20789612
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)triphenylen-2-amine
CID 20733776
1-N,4-N-bis[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2,3-dimethyl-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine
CID 20731073
N-[4-(cyclohexylidenemethyl)phenyl]-10-[10-[N-[4-(cyclohexylidenemethyl)phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]anthracen-9-yl]-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]anthracen-9-amine
CID 20731057
N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine
CID 54213443
3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
9-N-[4-(cyclohexylidenemethyl)phenyl]-20-N,20-N-bis(4-methylphenyl)-9-N-phenyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine
CID 20733621
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine
CID 20733595
N-(4-methylphenyl)-N-[4-(2-naphthalen-1-ylethenyl)phenyl]pyren-1-amine
CID 58817047
N-[4-(cyclohexylidenemethyl)phenyl]-N-(4-methylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine
CID 20733637
14-N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N,14-N-tetrakis(4-methylphenyl)-2-N,6-N,10-N-tris[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]tetraphenylene-2,6,10,14-tetramine
CID 20733676

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine?
The IUPAC name of N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine (CID 20733774) is N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine.
What is the SMILES notation for N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine?
The canonical SMILES for N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine is Cc1ccc(N(c2ccc(/C=C/c3ccc(C=C4CCCCC4)cc3)cc2)c2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1.
What is the InChIKey of N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine?
The InChIKey is DKBYUYFTPHPGLQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C48H39N/c1-33-16-26-39(27-17-33)49(40-28-24-35(25-29-40)19-18-34-20-22-37(23-21-34)32-36-8-3-2-4-9-36)46-31-30-44-42-13-6-11-38-10-5-12-41(47(38)42)43-14-7-15-45(46)48(43)44/h5-7,10-32H,2-4,8-9H2,1H3/b19-18+.
What are the key properties of N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine?
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine has a molecular weight of 629.85 g/mol, XLogP of 14.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine is sourced from PubChem (CID 20733774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).