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

C57H42N2 — CID 155419850

IUPAC7-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
SMILESC1=CC2=CC=CC(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5cccc6c5C=CCC6)ccc3-4)C2C=C1
InChIInChI=1S/C57H42N2/c1-3-21-41(22-4-1)58(55-31-15-19-39-17-7-9-25-45(39)55)43-33-35-49-50-36-34-44(59(42-23-5-2-6-24-42)56-32-16-20-40-18-8-10-26-46(40)56)38-54(50)57(53(49)37-43)51-29-13-11-27-47(51)48-28-12-14-30-52(48)57/h1-7,9-17,19-38,45,55H,8,18H2
InChIKeyKLQJHZUVLQBTRK-UHFFFAOYSA-N
MW754.98 g/mol
LogP14.20
Rot. Bonds6

About 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

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 (PubChem CID 155419850) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID155419850
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC Name7-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
SMILESC1=CC2=CC=CC(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5cccc6c5C=CCC6)ccc3-4)C2C=C1
InChIInChI=1S/C57H42N2/c1-3-21-41(22-4-1)58(55-31-15-19-39-17-7-9-25-45(39)55)43-33-35-49-50-36-34-44(59(42-23-5-2-6-24-42)56-32-16-20-40-18-8-10-26-46(40)56)38-54(50)57(53(49)37-43)51-29-13-11-27-47(51)48-28-12-14-30-52(48)57/h1-7,9-17,19-38,45,55H,8,18H2
InChIKeyKLQJHZUVLQBTRK-UHFFFAOYSA-N
XLogP14.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 155419612
N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 20728828
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
4-N'-cyclohexa-1,5-dien-1-yl-2-N-phenyl-4-N'-(6-phenylcyclohexa-2,4-dien-1-yl)-2-N-(4-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
CID 135218208
N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
CID 89061027
N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 89083660
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 143685003
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
2-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-7-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 171470496
2-N-(3,4-diphenylphenyl)-1-N,1-N-diphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,2-diamine
CID 139322157
2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine
CID 145321926

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2=CC=CC(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5cccc6c5C=CCC6)ccc3-4)C2C=C1.
What is the InChIKey of 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?
The InChIKey is KLQJHZUVLQBTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-3-21-41(22-4-1)58(55-31-15-19-39-17-7-9-25-45(39)55)43-33-35-49-50-36-34-44(59(42-23-5-2-6-24-42)56-32-16-20-40-18-8-10-26-46(40)56)38-54(50)57(53(49)37-43)51-29-13-11-27-47(51)48-28-12-14-30-52(48)57/h1-7,9-17,19-38,45,55H,8,18H2.
What are the key properties of 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?
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 has a molecular weight of 754.98 g/mol, XLogP of 14.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155419850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).