[2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium

C26H21N2+ — CID 163765139

IUPAC[2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium
SMILESNc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1C=[NH2+]
InChIInChI=1S/C26H20N2/c27-17-18-16-20(14-15-25(18)28)26(19-8-2-1-3-9-19)23-12-6-4-10-21(23)22-11-5-7-13-24(22)26/h1-17,27H,28H2/p+1
InChIKeyMBPMCFNCBNORMQ-UHFFFAOYSA-O
MW361.47 g/mol
LogP3.81
Rot. Bonds3

About [2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium

[2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium (PubChem CID 163765139) has the molecular formula C26H21N2+ and a molecular weight of 361.47 g/mol. Its IUPAC name is [2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium.

Molecular Properties

Compound Name[2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium
PubChem CID163765139
Molecular FormulaC26H21N2+
Molecular Weight361.47 g/mol
Exact Mass361.17
IUPAC Name[2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium
SMILESNc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1C=[NH2+]
InChIInChI=1S/C26H20N2/c27-17-18-16-20(14-15-25(18)28)26(19-8-2-1-3-9-19)23-12-6-4-10-21(23)22-11-5-7-13-24(22)26/h1-17,27H,28H2/p+1
InChIKeyMBPMCFNCBNORMQ-UHFFFAOYSA-O
XLogP3.81
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
2-ethenyl-9,9-diphenylfluorene
CID 144583514
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
4-(9-phenylfluoren-9-yl)benzenethiol
CID 58769505
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline
CID 158411353
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium?
The IUPAC name of [2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium (CID 163765139) is [2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium.
What is the SMILES notation for [2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium?
The canonical SMILES for [2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium is Nc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1C=[NH2+].
What is the InChIKey of [2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium?
The InChIKey is MBPMCFNCBNORMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H20N2/c27-17-18-16-20(14-15-25(18)28)26(19-8-2-1-3-9-19)23-12-6-4-10-21(23)22-11-5-7-13-24(22)26/h1-17,27H,28H2/p+1.
What are the key properties of [2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium?
[2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium has a molecular weight of 361.47 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium is sourced from PubChem (CID 163765139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).