4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline

C55H39N — CID 118565229

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5C65CC5)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H39N/c1-3-10-38(11-4-1)41-22-28-45(29-23-41)56(46-30-24-42(25-31-46)39-12-5-2-6-13-39)47-32-26-43(27-33-47)40-18-20-44(21-19-40)48-34-35-53-54-50(48)15-9-16-51(54)49-14-7-8-17-52(49)55(53)36-37-55/h1-35H,36-37H2
InChIKeyBWXTUGIUMKSZSR-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.04
Rot. Bonds7

About 4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline (PubChem CID 118565229) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline
PubChem CID118565229
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5C65CC5)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H39N/c1-3-10-38(11-4-1)41-22-28-45(29-23-41)56(46-30-24-42(25-31-46)39-12-5-2-6-13-39)47-32-26-43(27-33-47)40-18-20-44(21-19-40)48-34-35-53-54-50(48)15-9-16-51(54)49-14-7-8-17-52(49)55(53)36-37-55/h1-35H,36-37H2
InChIKeyBWXTUGIUMKSZSR-UHFFFAOYSA-N
XLogP15.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-amine
CID 118565245
N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine
CID 118565253
4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-4-N,9-N-diphenylspiro[benzo[a]phenalene-7,1'-cyclopropane]-4,9-diamine
CID 118565279
N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672313
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
N-phenanthren-9-yl-N-(3-phenylphenyl)spiro[benzo[a]phenalene-7,1'-cyclopropane]-3-amine
CID 118565213
N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672348
N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811963
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N,4-diphenylaniline
CID 122493194
N-(9,9-dimethylfluoren-2-yl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 139498854
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline (CID 118565229) is 4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5C65CC5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline?
The InChIKey is BWXTUGIUMKSZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-3-10-38(11-4-1)41-22-28-45(29-23-41)56(46-30-24-42(25-31-46)39-12-5-2-6-13-39)47-32-26-43(27-33-47)40-18-20-44(21-19-40)48-34-35-53-54-50(48)15-9-16-51(54)49-14-7-8-17-52(49)55(53)36-37-55/h1-35H,36-37H2.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline has a molecular weight of 713.92 g/mol, XLogP of 15.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline is sourced from PubChem (CID 118565229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).