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

C41H36N2O4 — CID 161479065

IUPAC2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)Cc2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)cc1
InChIInChI=1S/C41H36N2O4/c1-44-36-15-5-30(6-16-36)42(31-7-17-37(45-2)18-8-31)34-13-23-40-28(26-34)25-29-27-35(14-24-41(29)40)43(32-9-19-38(46-3)20-10-32)33-11-21-39(47-4)22-12-33/h5-24,26-27H,25H2,1-4H3
InChIKeyZPAOLMKKPMTLST-UHFFFAOYSA-N
MW620.75 g/mol
LogP10.23
Rot. Bonds10

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

2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine (PubChem CID 161479065) has the molecular formula C41H36N2O4 and a molecular weight of 620.75 g/mol. Its IUPAC name is 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine
PubChem CID161479065
Molecular FormulaC41H36N2O4
Molecular Weight620.75 g/mol
Exact Mass620.27
IUPAC Name2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)Cc2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)cc1
InChIInChI=1S/C41H36N2O4/c1-44-36-15-5-30(6-16-36)42(31-7-17-37(45-2)18-8-31)34-13-23-40-28(26-34)25-29-27-35(14-24-41(29)40)43(32-9-19-38(46-3)20-10-32)33-11-21-39(47-4)22-12-33/h5-24,26-27H,25H2,1-4H3
InChIKeyZPAOLMKKPMTLST-UHFFFAOYSA-N
XLogP10.23
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.75
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine
CID 161479064
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
2,7-bis(4-methoxyphenyl)-9H-fluorene
CID 67050058
2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluoren-9-ylium-2,7-diamine
CID 101171493
N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline
CID 122449104
2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 57337080
2-N',2-N',3-N,3-N,6-N,6-N,7-N',7-N'-octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',3,6,7'-tetramine
CID 167156209
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
14-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-5,8-dicarbonitrile
CID 166882295
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
6-N,16-N-bis(4-methoxyphenyl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032295
N,N-bis(4-methylphenyl)-6,12-dihydroindeno[1,2-b]fluoren-2-amine
CID 71099967

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine?
The IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine (CID 161479065) is 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine.
What is the SMILES notation for 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine?
The canonical SMILES for 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)Cc2cc(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)-9H-fluorene-2,7-diamine?
The InChIKey is ZPAOLMKKPMTLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N2O4/c1-44-36-15-5-30(6-16-36)42(31-7-17-37(45-2)18-8-31)34-13-23-40-28(26-34)25-29-27-35(14-24-41(29)40)43(32-9-19-38(46-3)20-10-32)33-11-21-39(47-4)22-12-33/h5-24,26-27H,25H2,1-4H3.
What are the key properties of 2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine?
2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine has a molecular weight of 620.75 g/mol, XLogP of 10.23, 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)-9H-fluorene-2,7-diamine is sourced from PubChem (CID 161479065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).