N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline

C62H49N — CID 156567903

IUPACN-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C62H49N/c1-2-10-43(11-3-1)45-24-30-52(31-25-45)63(54-34-28-48(29-35-54)56-16-8-13-47-12-4-5-14-55(47)56)53-32-26-46(27-33-53)44-20-22-49(23-21-44)57-17-9-18-59-58-15-6-7-19-60(58)62(61(57)59)50-37-41-36-42(39-50)40-51(62)38-41/h1-35,41-42,50-51H,36-40H2
InChIKeyUSHCWVUAAVSQIZ-UHFFFAOYSA-N
MW808.08 g/mol
LogP16.70
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline

N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline (PubChem CID 156567903) has the molecular formula C62H49N and a molecular weight of 808.08 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline
PubChem CID156567903
Molecular FormulaC62H49N
Molecular Weight808.08 g/mol
Exact Mass807.39
IUPAC NameN-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C62H49N/c1-2-10-43(11-3-1)45-24-30-52(31-25-45)63(54-34-28-48(29-35-54)56-16-8-13-47-12-4-5-14-55(47)56)53-32-26-46(27-33-53)44-20-22-49(23-21-44)57-17-9-18-59-58-15-6-7-19-60(58)62(61(57)59)50-37-41-36-42(39-50)40-51(62)38-41/h1-35,41-42,50-51H,36-40H2
InChIKeyUSHCWVUAAVSQIZ-UHFFFAOYSA-N
XLogP16.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.08
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393603
N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399556
1-N,6-N-diphenyl-1-N-(4-phenylnaphthalen-1-yl)-6-N-spiro[adamantane-2,9'-fluorene]-1'-ylpyrene-1,6-diamine
CID 166050352
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722937
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 156573602
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 158875023
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 163486217
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-1'-ylnaphthalen-1-yl)fluoren-4-amine
CID 161011952

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline (CID 156567903) is N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline?
The InChIKey is USHCWVUAAVSQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49N/c1-2-10-43(11-3-1)45-24-30-52(31-25-45)63(54-34-28-48(29-35-54)56-16-8-13-47-12-4-5-14-55(47)56)53-32-26-46(27-33-53)44-20-22-49(23-21-44)57-17-9-18-59-58-15-6-7-19-60(58)62(61(57)59)50-37-41-36-42(39-50)40-51(62)38-41/h1-35,41-42,50-51H,36-40H2.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline?
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline has a molecular weight of 808.08 g/mol, XLogP of 16.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)phenyl]aniline is sourced from PubChem (CID 156567903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).