5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine

C45H36N2 — CID 59987799

IUPAC5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
SMILESCc1ccc(N(c2ccccc2)c2c3ccccc3cc3c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc4cc23)cc1
InChIInChI=1S/C45H36N2/c1-31-17-23-37(24-18-31)46(36-13-5-4-6-14-36)44-40-15-9-7-11-34(40)30-43-42(44)29-35-12-8-10-16-41(35)45(43)47(38-25-19-32(2)20-26-38)39-27-21-33(3)22-28-39/h4-30H,1-3H3
InChIKeyTUXHQDUQSNLJPB-UHFFFAOYSA-N
MW604.80 g/mol
LogP13.01
Rot. Bonds6

About 5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine

5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine (PubChem CID 59987799) has the molecular formula C45H36N2 and a molecular weight of 604.80 g/mol. Its IUPAC name is 5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine.

Molecular Properties

Compound Name5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
PubChem CID59987799
Molecular FormulaC45H36N2
Molecular Weight604.80 g/mol
Exact Mass604.29
IUPAC Name5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
SMILESCc1ccc(N(c2ccccc2)c2c3ccccc3cc3c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc4cc23)cc1
InChIInChI=1S/C45H36N2/c1-31-17-23-37(24-18-31)46(36-13-5-4-6-14-36)44-40-15-9-7-11-34(40)30-43-42(44)29-35-12-8-10-16-41(35)45(43)47(38-25-19-32(2)20-26-38)39-27-21-33(3)22-28-39/h4-30H,1-3H3
InChIKeyTUXHQDUQSNLJPB-UHFFFAOYSA-N
XLogP13.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.80
LogP ≤ 513.01
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,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
N-(3-methylphenyl)-N-phenylanthracen-9-amine
CID 22976643
9-N,10-N-di(anthracen-9-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59372255
5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine
CID 23393545
2-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 166990192
2,3,6-trimethyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59372305
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
16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine
CID 89357431
N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59398958
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

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine?
The IUPAC name of 5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine (CID 59987799) is 5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine.
What is the SMILES notation for 5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine?
The canonical SMILES for 5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine is Cc1ccc(N(c2ccccc2)c2c3ccccc3cc3c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc4cc23)cc1.
What is the InChIKey of 5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine?
The InChIKey is TUXHQDUQSNLJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N2/c1-31-17-23-37(24-18-31)46(36-13-5-4-6-14-36)44-40-15-9-7-11-34(40)30-43-42(44)29-35-12-8-10-16-41(35)45(43)47(38-25-19-32(2)20-26-38)39-27-21-33(3)22-28-39/h4-30H,1-3H3.
What are the key properties of 5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine?
5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine has a molecular weight of 604.80 g/mol, XLogP of 13.01, 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-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine is sourced from PubChem (CID 59987799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).