2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine

C43H40N2O4 — CID 58883931

IUPAC2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)cc1
InChIInChI=1S/C43H40N2O4/c1-43(2)41-27-33(44(29-7-17-35(46-3)18-8-29)30-9-19-36(47-4)20-10-30)15-25-39(41)40-26-16-34(28-42(40)43)45(31-11-21-37(48-5)22-12-31)32-13-23-38(49-6)24-14-32/h7-28H,1-6H3
InChIKeyGYOKPJXXAQJWDW-UHFFFAOYSA-N
MW648.80 g/mol
LogP10.97
Rot. Bonds10

About 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine

2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine (PubChem CID 58883931) has the molecular formula C43H40N2O4 and a molecular weight of 648.80 g/mol. Its IUPAC name is 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine
PubChem CID58883931
Molecular FormulaC43H40N2O4
Molecular Weight648.80 g/mol
Exact Mass648.30
IUPAC Name2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)cc1
InChIInChI=1S/C43H40N2O4/c1-43(2)41-27-33(44(29-7-17-35(46-3)18-8-29)30-9-19-36(47-4)20-10-30)15-25-39(41)40-26-16-34(28-42(40)43)45(31-11-21-37(48-5)22-12-31)32-13-23-38(49-6)24-14-32/h7-28H,1-6H3
InChIKeyGYOKPJXXAQJWDW-UHFFFAOYSA-N
XLogP10.97
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.80
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine?
The IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine (CID 58883931) is 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine?
The canonical SMILES for 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)cc1.
What is the InChIKey of 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine?
The InChIKey is GYOKPJXXAQJWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N2O4/c1-43(2)41-27-33(44(29-7-17-35(46-3)18-8-29)30-9-19-36(47-4)20-10-30)15-25-39(41)40-26-16-34(28-42(40)43)45(31-11-21-37(48-5)22-12-31)32-13-23-38(49-6)24-14-32/h7-28H,1-6H3.
What are the key properties of 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine?
2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine has a molecular weight of 648.80 g/mol, XLogP of 10.97, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine is sourced from PubChem (CID 58883931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).