N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine

C64H52N2 — CID 146582471

IUPACN-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4C4(CCCC4)c4ccccc4-5)cc3)ccc2N(c2ccccc2)c2cccc3c2C2(CCCC2)c2ccccc2-3)cc1
InChIInChI=1S/C64H52N2/c1-4-20-46(21-5-1)55-44-47(36-39-58(55)66(49-24-8-3-9-25-49)60-33-19-29-54-52-27-11-13-31-57(52)64(62(54)60)42-16-17-43-64)45-34-37-50(38-35-45)65(48-22-6-2-7-23-48)59-32-18-28-53-51-26-10-12-30-56(51)63(61(53)59)40-14-15-41-63/h1-13,18-39,44H,14-17,40-43H2
InChIKeyHNNDMYWQGUAXEF-UHFFFAOYSA-N
MW849.13 g/mol
LogP17.64
Rot. Bonds8

About N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine

N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine (PubChem CID 146582471) has the molecular formula C64H52N2 and a molecular weight of 849.13 g/mol. Its IUPAC name is N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine
PubChem CID146582471
Molecular FormulaC64H52N2
Molecular Weight849.13 g/mol
Exact Mass848.41
IUPAC NameN-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4C4(CCCC4)c4ccccc4-5)cc3)ccc2N(c2ccccc2)c2cccc3c2C2(CCCC2)c2ccccc2-3)cc1
InChIInChI=1S/C64H52N2/c1-4-20-46(21-5-1)55-44-47(36-39-58(55)66(49-24-8-3-9-25-49)60-33-19-29-54-52-27-11-13-31-57(52)64(62(54)60)42-16-17-43-64)45-34-37-50(38-35-45)65(48-22-6-2-7-23-48)59-32-18-28-53-51-26-10-12-30-56(51)63(61(53)59)40-14-15-41-63/h1-13,18-39,44H,14-17,40-43H2
InChIKeyHNNDMYWQGUAXEF-UHFFFAOYSA-N
XLogP17.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.13
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845
N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine
CID 168810448
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116304
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine
CID 170117213
3'-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729545
N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672348
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 59025076
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200
N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672313

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine?
The IUPAC name of N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine (CID 146582471) is N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine.
What is the SMILES notation for N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine?
The canonical SMILES for N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4C4(CCCC4)c4ccccc4-5)cc3)ccc2N(c2ccccc2)c2cccc3c2C2(CCCC2)c2ccccc2-3)cc1.
What is the InChIKey of N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine?
The InChIKey is HNNDMYWQGUAXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2/c1-4-20-46(21-5-1)55-44-47(36-39-58(55)66(49-24-8-3-9-25-49)60-33-19-29-54-52-27-11-13-31-57(52)64(62(54)60)42-16-17-43-64)45-34-37-50(38-35-45)65(48-22-6-2-7-23-48)59-32-18-28-53-51-26-10-12-30-56(51)63(61(53)59)40-14-15-41-63/h1-13,18-39,44H,14-17,40-43H2.
What are the key properties of N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine?
N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine has a molecular weight of 849.13 g/mol, XLogP of 17.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[3-phenyl-4-(N-spiro[cyclopentane-1,9'-fluorene]-1'-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine is sourced from PubChem (CID 146582471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).