1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine

C46H38N2 — CID 135260504

IUPAC1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc3c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4cc5ccccc5cc4cc23)cc1
InChIInChI=1S/C46H38N2/c1-31-12-20-38(21-13-31)47(39-22-14-32(2)15-23-39)45-11-7-10-42-44(45)30-37-28-35-8-5-6-9-36(35)29-43(37)46(42)48(40-24-16-33(3)17-25-40)41-26-18-34(4)19-27-41/h5-30H,1-4H3
InChIKeyYUCURKHBKSATID-UHFFFAOYSA-N
MW618.82 g/mol
LogP13.32
Rot. Bonds6

About 1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine

1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine (PubChem CID 135260504) has the molecular formula C46H38N2 and a molecular weight of 618.82 g/mol. Its IUPAC name is 1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine.

Molecular Properties

Compound Name1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine
PubChem CID135260504
Molecular FormulaC46H38N2
Molecular Weight618.82 g/mol
Exact Mass618.30
IUPAC Name1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc3c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4cc5ccccc5cc4cc23)cc1
InChIInChI=1S/C46H38N2/c1-31-12-20-38(21-13-31)47(39-22-14-32(2)15-23-39)45-11-7-10-42-44(45)30-37-28-35-8-5-6-9-36(35)29-43(37)46(42)48(40-24-16-33(3)17-25-40)41-26-18-34(4)19-27-41/h5-30H,1-4H3
InChIKeyYUCURKHBKSATID-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

N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine
CID 91237868
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
CID 162182547
5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
CID 20730668
9-N,10-N-di(anthracen-9-yl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58612532
5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine
CID 23393545
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
1-N-[4-[N-anthracen-1-yl-4-(4-methylanilino)anilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121338007
1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine
CID 20754064
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158140661
4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 159675140

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine?
The IUPAC name of 1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine (CID 135260504) is 1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine.
What is the SMILES notation for 1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine?
The canonical SMILES for 1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine is Cc1ccc(N(c2ccc(C)cc2)c2cccc3c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4cc5ccccc5cc4cc23)cc1.
What is the InChIKey of 1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine?
The InChIKey is YUCURKHBKSATID-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2/c1-31-12-20-38(21-13-31)47(39-22-14-32(2)15-23-39)45-11-7-10-42-44(45)30-37-28-35-8-5-6-9-36(35)29-43(37)46(42)48(40-24-16-33(3)17-25-40)41-26-18-34(4)19-27-41/h5-30H,1-4H3.
What are the key properties of 1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine?
1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-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 1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine is sourced from PubChem (CID 135260504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).