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

C63H42N2 — CID 130262417

IUPAC11-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
SMILESc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4-c4ccccc4-3)c3ccccc3-c3ccccc32)c2cccc3ccccc23)cc1
InChIInChI=1S/C63H42N2/c1-3-23-45(24-4-1)64(61-35-17-21-43-19-7-9-27-49(43)61)47-37-39-55-51-29-11-12-30-52(51)56-40-38-48(65(46-25-5-2-6-26-46)62-36-18-22-44-20-8-10-28-50(44)62)42-60(56)63(59(55)41-47)57-33-15-13-31-53(57)54-32-14-16-34-58(54)63/h1-42H
InChIKeyMTELFQJXQIVHDI-UHFFFAOYSA-N
MW827.04 g/mol
LogP16.94
Rot. Bonds6

About 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

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 (PubChem CID 130262417) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID130262417
Molecular FormulaC63H42N2
Molecular Weight827.04 g/mol
Exact Mass826.33
IUPAC Name11-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
SMILESc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4-c4ccccc4-3)c3ccccc3-c3ccccc32)c2cccc3ccccc23)cc1
InChIInChI=1S/C63H42N2/c1-3-23-45(24-4-1)64(61-35-17-21-43-19-7-9-27-49(43)61)47-37-39-55-51-29-11-12-30-52(51)56-40-38-48(65(46-25-5-2-6-26-46)62-36-18-22-44-20-8-10-28-50(44)62)42-60(56)63(59(55)41-47)57-33-15-13-31-53(57)54-32-14-16-34-58(54)63/h1-42H
InChIKeyMTELFQJXQIVHDI-UHFFFAOYSA-N
XLogP16.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
7'-chloro-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 165158317
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
2-N-naphthalen-1-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791654
N,7'-dinaphthalen-1-yl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 144583894
N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177274818
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518
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,2-N'-diphenyl-2-N-(1-phenylnaphthalen-2-yl)-2-N'-[1-(4-phenylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633832
N-phenyl-N-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 134215984
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788327
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4-c4ccccc4-3)c3ccccc3-c3ccccc32)c2cccc3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is MTELFQJXQIVHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-3-23-45(24-4-1)64(61-35-17-21-43-19-7-9-27-49(43)61)47-37-39-55-51-29-11-12-30-52(51)56-40-38-48(65(46-25-5-2-6-26-46)62-36-18-22-44-20-8-10-28-50(44)62)42-60(56)63(59(55)41-47)57-33-15-13-31-53(57)54-32-14-16-34-58(54)63/h1-42H.
What are the key properties of 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?
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 has a molecular weight of 827.04 g/mol, XLogP of 16.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130262417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).