5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine

C46H38N2 — CID 20730668

IUPAC5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2c3ccccc3cc3c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc4cc23)cc1
InChIInChI=1S/C46H38N2/c1-31-13-21-37(22-14-31)47(38-23-15-32(2)16-24-38)45-41-11-7-5-9-35(41)30-44-43(45)29-36-10-6-8-12-42(36)46(44)48(39-25-17-33(3)18-26-39)40-27-19-34(4)20-28-40/h5-30H,1-4H3
InChIKeyTYGSHIPXFUQBJO-UHFFFAOYSA-N
MW618.82 g/mol
LogP13.32
Rot. Bonds6

About 5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine

5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine (PubChem CID 20730668) has the molecular formula C46H38N2 and a molecular weight of 618.82 g/mol. Its IUPAC name is 5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine.

Molecular Properties

Compound Name5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
PubChem CID20730668
Molecular FormulaC46H38N2
Molecular Weight618.82 g/mol
Exact Mass618.30
IUPAC Name5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2c3ccccc3cc3c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc4cc23)cc1
InChIInChI=1S/C46H38N2/c1-31-13-21-37(22-14-31)47(38-23-15-32(2)16-24-38)45-41-11-7-5-9-35(41)30-44-43(45)29-36-10-6-8-12-42(36)46(44)48(39-25-17-33(3)18-26-39)40-27-19-34(4)20-28-40/h5-30H,1-4H3
InChIKeyTYGSHIPXFUQBJO-UHFFFAOYSA-N
XLogP13.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.82
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
9-N,10-N-di(anthracen-9-yl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58612532
5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine
CID 23393545
1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine
CID 135260504
N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine
CID 20733629
N-(3-methylphenyl)-N-phenylanthracen-9-amine
CID 22976643
2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine
CID 142508138
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530
2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 59372269
9-N,10-N-di(anthracen-9-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59372255
10-[3-methyl-5-[10-(4-methyl-N-(4-methylphenyl)anilino)anthracen-9-yl]phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 158552329
9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371111

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine?
The IUPAC name of 5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine (CID 20730668) is 5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine.
What is the SMILES notation for 5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine?
The canonical SMILES for 5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine is Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3cc3c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc4cc23)cc1.
What is the InChIKey of 5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine?
The InChIKey is TYGSHIPXFUQBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2/c1-31-13-21-37(22-14-31)47(38-23-15-32(2)16-24-38)45-41-11-7-5-9-35(41)30-44-43(45)29-36-10-6-8-12-42(36)46(44)48(39-25-17-33(3)18-26-39)40-27-19-34(4)20-28-40/h5-30H,1-4H3.
What are the key properties of 5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine?
5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine has a molecular weight of 618.82 g/mol, XLogP of 13.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine is sourced from PubChem (CID 20730668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).