3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine

C44H36N2 — CID 23534540

IUPAC3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)-c2cccc4c(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc-3c24)cc1
InChIInChI=1S/C44H36N2/c1-29-8-16-33(17-9-29)45(34-18-10-30(2)11-19-34)37-24-25-38-40-26-27-43(41-7-5-6-39(44(40)41)42(38)28-37)46(35-20-12-31(3)13-21-35)36-22-14-32(4)15-23-36/h5-28H,1-4H3
InChIKeyWWRHEVAWKMMOML-UHFFFAOYSA-N
MW592.79 g/mol
LogP12.66
Rot. Bonds6

About 3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine

3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine (PubChem CID 23534540) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine.

Molecular Properties

Compound Name3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine
PubChem CID23534540
Molecular FormulaC44H36N2
Molecular Weight592.79 g/mol
Exact Mass592.29
IUPAC Name3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)-c2cccc4c(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc-3c24)cc1
InChIInChI=1S/C44H36N2/c1-29-8-16-33(17-9-29)45(34-18-10-30(2)11-19-34)37-24-25-38-40-26-27-43(41-7-5-6-39(44(40)41)42(38)28-37)46(35-20-12-31(3)13-21-35)36-22-14-32(4)15-23-36/h5-28H,1-4H3
InChIKeyWWRHEVAWKMMOML-UHFFFAOYSA-N
XLogP12.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine?
The IUPAC name of 3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine (CID 23534540) is 3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine.
What is the SMILES notation for 3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine?
The canonical SMILES for 3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)-c2cccc4c(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc-3c24)cc1.
What is the InChIKey of 3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine?
The InChIKey is WWRHEVAWKMMOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2/c1-29-8-16-33(17-9-29)45(34-18-10-30(2)11-19-34)37-24-25-38-40-26-27-43(41-7-5-6-39(44(40)41)42(38)28-37)46(35-20-12-31(3)13-21-35)36-22-14-32(4)15-23-36/h5-28H,1-4H3.
What are the key properties of 3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine?
3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine has a molecular weight of 592.79 g/mol, XLogP of 12.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,8-N,8-N-tetrakis(4-methylphenyl)fluoranthene-3,8-diamine is sourced from PubChem (CID 23534540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).