7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine

C57H52N2 — CID 123491355

IUPAC7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESCCc1ccc(N(C2=CCC(CC)C=C2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(CC)cc4)c4ccc(CC)cc4)ccc2-3)cc1
InChIInChI=1S/C57H52N2/c1-5-39-17-25-43(26-18-39)58(44-27-19-40(6-2)20-28-44)47-33-35-51-52-36-34-48(59(45-29-21-41(7-3)22-30-45)46-31-23-42(8-4)24-32-46)38-56(52)57(55(51)37-47)53-15-11-9-13-49(53)50-14-10-12-16-54(50)57/h9-23,25-38,42H,5-8,24H2,1-4H3
InChIKeyGGFXTZZPOKKJAA-UHFFFAOYSA-N
MW765.06 g/mol
LogP15.20
Rot. Bonds10

About 7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine

7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine (PubChem CID 123491355) has the molecular formula C57H52N2 and a molecular weight of 765.06 g/mol. Its IUPAC name is 7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine.

Molecular Properties

Compound Name7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
PubChem CID123491355
Molecular FormulaC57H52N2
Molecular Weight765.06 g/mol
Exact Mass764.41
IUPAC Name7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESCCc1ccc(N(C2=CCC(CC)C=C2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(CC)cc4)c4ccc(CC)cc4)ccc2-3)cc1
InChIInChI=1S/C57H52N2/c1-5-39-17-25-43(26-18-39)58(44-27-19-40(6-2)20-28-44)47-33-35-51-52-36-34-48(59(45-29-21-41(7-3)22-30-45)46-31-23-42(8-4)24-32-46)38-56(52)57(55(51)37-47)53-15-11-9-13-49(53)50-14-10-12-16-54(50)57/h9-23,25-38,42H,5-8,24H2,1-4H3
InChIKeyGGFXTZZPOKKJAA-UHFFFAOYSA-N
XLogP15.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.06
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 134568081
N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene]-2-amine
CID 123504509
9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
CID 123266293
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177067096
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-(5-phenylcyclohepta-1,4,6-trien-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 138555374
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine
CID 139762426
N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
CID 137494328
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321

Frequently Asked Questions

What is the IUPAC name of 7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The IUPAC name of 7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine (CID 123491355) is 7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine.
What is the SMILES notation for 7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The canonical SMILES for 7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine is CCc1ccc(N(C2=CCC(CC)C=C2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(CC)cc4)c4ccc(CC)cc4)ccc2-3)cc1.
What is the InChIKey of 7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The InChIKey is GGFXTZZPOKKJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H52N2/c1-5-39-17-25-43(26-18-39)58(44-27-19-40(6-2)20-28-44)47-33-35-51-52-36-34-48(59(45-29-21-41(7-3)22-30-45)46-31-23-42(8-4)24-32-46)38-56(52)57(55(51)37-47)53-15-11-9-13-49(53)50-14-10-12-16-54(50)57/h9-23,25-38,42H,5-8,24H2,1-4H3.
What are the key properties of 7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine has a molecular weight of 765.06 g/mol, XLogP of 15.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N'-(4-ethylcyclohexa-1,5-dien-1-yl)-2-N',2-N',7-N'-tris(4-ethylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine is sourced from PubChem (CID 123491355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).