cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine

C59H56N2 — CID 156726259

IUPACcyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine
SMILESC1CC1.C1CC1.C1CC1.Nc1cccc2c1-c1ccccc1C21C2=CC=CCC=C2c2ccccc21.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C26H19N.C24H19N.3C3H6/c27-24-16-8-15-23-25(24)19-11-5-7-14-22(19)26(23)20-12-3-1-2-9-17(20)18-10-4-6-13-21(18)26;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20;3*1-2-3-1/h1,3-16H,2,27H2;1-18,25H;3*1-3H2
InChIKeyDGRKOBLSPYJRKH-UHFFFAOYSA-N
MW793.11 g/mol
LogP16.14
Rot. Bonds4

About cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine

cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine (PubChem CID 156726259) has the molecular formula C59H56N2 and a molecular weight of 793.11 g/mol. Its IUPAC name is cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine.

Molecular Properties

Compound Namecyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine
PubChem CID156726259
Molecular FormulaC59H56N2
Molecular Weight793.11 g/mol
Exact Mass792.44
IUPAC Namecyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine
SMILESC1CC1.C1CC1.C1CC1.Nc1cccc2c1-c1ccccc1C21C2=CC=CCC=C2c2ccccc21.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C26H19N.C24H19N.3C3H6/c27-24-16-8-15-23-25(24)19-11-5-7-14-22(19)26(23)20-12-3-1-2-9-17(20)18-10-4-6-13-21(18)26;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20;3*1-2-3-1/h1,3-16H,2,27H2;1-18,25H;3*1-3H2
InChIKeyDGRKOBLSPYJRKH-UHFFFAOYSA-N
XLogP16.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.11
LogP ≤ 516.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-6H-benzo[a]azulene-2,3-diamine
CID 145340962
9-phenyl-N-(2-phenylphenyl)-9-(4-phenylphenyl)fluoren-4-amine
CID 155297478
10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane
CID 144938959
4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline
CID 165158405
spiro[cyclopentane-1,9'-fluorene]-4'-amine
CID 137417428
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 123741580
N-(4-phenylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672380
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
CID 172544729
3-phenanthren-9-yl-10,10-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6H-benzo[a]azulen-2-amine
CID 142515483
9,9-diphenyl-N-(2-phenylphenyl)fluoren-4-amine
CID 155297416

Frequently Asked Questions

What is the IUPAC name of cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine?
The IUPAC name of cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine (CID 156726259) is cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine.
What is the SMILES notation for cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine?
The canonical SMILES for cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine is C1CC1.C1CC1.C1CC1.Nc1cccc2c1-c1ccccc1C21C2=CC=CCC=C2c2ccccc21.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine?
The InChIKey is DGRKOBLSPYJRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N.C24H19N.3C3H6/c27-24-16-8-15-23-25(24)19-11-5-7-14-22(19)26(23)20-12-3-1-2-9-17(20)18-10-4-6-13-21(18)26;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20;3*1-2-3-1/h1,3-16H,2,27H2;1-18,25H;3*1-3H2.
What are the key properties of cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine?
cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine has a molecular weight of 793.11 g/mol, XLogP of 16.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine is sourced from PubChem (CID 156726259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).