2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine

C59H48N2 — CID 139470459

IUPAC2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
SMILESC1=CCCC(c2ccccc2N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3cc(N(C4=CC=CCC4)c4cccc5c4C=CCC5)ccc3C3C=CC=CC32)=C1
InChIInChI=1S/C59H48N2/c1-4-20-41(21-5-1)47-29-14-17-35-56(47)61(44-26-8-3-9-27-44)57-37-19-34-53-58(57)50-31-13-16-33-52(50)59(53)51-32-15-12-30-48(51)49-39-38-45(40-54(49)59)60(43-24-6-2-7-25-43)55-36-18-23-42-22-10-11-28-46(42)55/h1-4,6,8-9,11-20,23-24,26-40,48,51H,5,7,10,21-22,25H2
InChIKeyXLUVCLBDRBLQKH-UHFFFAOYSA-N
MW785.05 g/mol
LogP15.38
Rot. Bonds7

About 2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine

2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine (PubChem CID 139470459) has the molecular formula C59H48N2 and a molecular weight of 785.05 g/mol. Its IUPAC name is 2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine.

Molecular Properties

Compound Name2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
PubChem CID139470459
Molecular FormulaC59H48N2
Molecular Weight785.05 g/mol
Exact Mass784.38
IUPAC Name2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
SMILESC1=CCCC(c2ccccc2N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3cc(N(C4=CC=CCC4)c4cccc5c4C=CCC5)ccc3C3C=CC=CC32)=C1
InChIInChI=1S/C59H48N2/c1-4-20-41(21-5-1)47-29-14-17-35-56(47)61(44-26-8-3-9-27-44)57-37-19-34-53-58(57)50-31-13-16-33-52(50)59(53)51-32-15-12-30-48(51)49-39-38-45(40-54(49)59)60(43-24-6-2-7-25-43)55-36-18-23-42-22-10-11-28-46(42)55/h1-4,6,8-9,11-20,23-24,26-40,48,51H,5,7,10,21-22,25H2
InChIKeyXLUVCLBDRBLQKH-UHFFFAOYSA-N
XLogP15.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.05
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-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

2-N-cyclohexa-1,3-dien-1-yl-2-N,5-N,5-N,9,9-pentakis-phenylfluorene-2,5-diamine
CID 142424805
7-N'-(1,8a-dihydronaphthalen-1-yl)-2-N'-(5,6-dihydronaphthalen-1-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 155419850
3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775247
N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine
CID 146413961
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 138723735
N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
CID 89061027
3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775478
5-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170282180
N-(6,7-dihydrodibenzothiophen-3-yl)-N-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-2-yl)cyclohexa-1,3-dien-1-yl]dibenzothiophen-3-amine
CID 163746763
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
CID 139470276
9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 131994114

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine?
The IUPAC name of 2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine (CID 139470459) is 2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine.
What is the SMILES notation for 2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine?
The canonical SMILES for 2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine is C1=CCCC(c2ccccc2N(c2ccccc2)c2cccc3c2-c2ccccc2C32c3cc(N(C4=CC=CCC4)c4cccc5c4C=CCC5)ccc3C3C=CC=CC32)=C1.
What is the InChIKey of 2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine?
The InChIKey is XLUVCLBDRBLQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48N2/c1-4-20-41(21-5-1)47-29-14-17-35-56(47)61(44-26-8-3-9-27-44)57-37-19-34-53-58(57)50-31-13-16-33-52(50)59(53)51-32-15-12-30-48(51)49-39-38-45(40-54(49)59)60(43-24-6-2-7-25-43)55-36-18-23-42-22-10-11-28-46(42)55/h1-4,6,8-9,11-20,23-24,26-40,48,51H,5,7,10,21-22,25H2.
What are the key properties of 2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine?
2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine has a molecular weight of 785.05 g/mol, XLogP of 15.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine is sourced from PubChem (CID 139470459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).