3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine

C56H44N2 — CID 20789612

IUPAC3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine
SMILESCc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc4c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)c6cccc(c7cccc3c74)c65)cc2)cc1
InChIInChI=1S/C56H44N2/c1-37-11-19-41(20-12-37)21-22-42-23-31-46(32-24-42)58(45-29-17-40(4)18-30-45)54-36-34-50-49-33-35-53(51-9-5-7-47(55(49)51)48-8-6-10-52(54)56(48)50)57(43-25-13-38(2)14-26-43)44-27-15-39(3)16-28-44/h5-36H,1-4H3/b22-21+
InChIKeyZTAWHTJTLLPLSN-QURGRASLSA-N
MW744.98 g/mol
LogP16.08
Rot. Bonds8

About 3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine

3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine (PubChem CID 20789612) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is 3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine.

Molecular Properties

Compound Name3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine
PubChem CID20789612
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC Name3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine
SMILESCc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc4c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)c6cccc(c7cccc3c74)c65)cc2)cc1
InChIInChI=1S/C56H44N2/c1-37-11-19-41(20-12-37)21-22-42-23-31-46(32-24-42)58(45-29-17-40(4)18-30-45)54-36-34-50-49-33-35-53(51-9-5-7-47(55(49)51)48-8-6-10-52(54)56(48)50)57(43-25-13-38(2)14-26-43)44-27-15-39(3)16-28-44/h5-36H,1-4H3/b22-21+
InChIKeyZTAWHTJTLLPLSN-QURGRASLSA-N
XLogP16.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine 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,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
1-N,4-N-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]-1-N,4-N-bis[4-(2-phenylethenyl)phenyl]naphthalene-1,4-diamine
CID 72522022
N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine
CID 54213443
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine
CID 20733774
N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine
CID 19688920
N-(4-methylphenyl)-N-[4-(2-naphthalen-1-ylethenyl)phenyl]pyren-1-amine
CID 58817047
3-N,10-N-bis(2,6-dibutyl-4-methylphenyl)-3-N,10-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine
CID 23526250
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
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
CID 90896917
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine
CID 67099589
8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine
CID 143438485
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

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine?
The IUPAC name of 3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine (CID 20789612) is 3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine.
What is the SMILES notation for 3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine?
The canonical SMILES for 3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine is Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc4c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)c6cccc(c7cccc3c74)c65)cc2)cc1.
What is the InChIKey of 3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine?
The InChIKey is ZTAWHTJTLLPLSN-QURGRASLSA-N. The full InChI is InChI=1S/C56H44N2/c1-37-11-19-41(20-12-37)21-22-42-23-31-46(32-24-42)58(45-29-17-40(4)18-30-45)54-36-34-50-49-33-35-53(51-9-5-7-47(55(49)51)48-8-6-10-52(54)56(48)50)57(43-25-13-38(2)14-26-43)44-27-15-39(3)16-28-44/h5-36H,1-4H3/b22-21+.
What are the key properties of 3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine?
3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine has a molecular weight of 744.98 g/mol, XLogP of 16.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine is sourced from PubChem (CID 20789612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).