2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline

C47H35N — CID 145384372

IUPAC2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline
SMILESNc1ccccc1CCc1ccc2c(c1)C(c1ccccc1)(c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1ccccc1-2
InChIInChI=1S/C47H35N/c48-44-26-14-7-15-33(44)29-27-32-28-30-37-36-20-12-13-25-42(36)47(43(37)31-32,35-18-5-2-6-19-35)46-40-23-10-8-21-38(40)45(34-16-3-1-4-17-34)39-22-9-11-24-41(39)46/h1-26,28,30-31H,27,29,48H2
InChIKeyBZNNVARZHXCVGU-UHFFFAOYSA-N
MW613.80 g/mol
LogP11.39
Rot. Bonds6

About 2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline

2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline (PubChem CID 145384372) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is 2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline
PubChem CID145384372
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline
SMILESNc1ccccc1CCc1ccc2c(c1)C(c1ccccc1)(c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1ccccc1-2
InChIInChI=1S/C47H35N/c48-44-26-14-7-15-33(44)29-27-32-28-30-37-36-20-12-13-25-42(36)47(43(37)31-32,35-18-5-2-6-19-35)46-40-23-10-8-21-38(40)45(34-16-3-1-4-17-34)39-22-9-11-24-41(39)46/h1-26,28,30-31H,27,29,48H2
InChIKeyBZNNVARZHXCVGU-UHFFFAOYSA-N
XLogP11.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.80
LogP ≤ 511.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine
CID 146215869
9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
CID 164737939
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
(9,9-diphenylfluoren-2-yl)-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 123170275
9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
CID 87087450
22'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962463
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
9-[4-[4-[9-[4-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[9,9-bis(4-anthracen-9-ylphenyl)-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene;methane
CID 159419556
CID 158107277
CID 158107277
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232

Frequently Asked Questions

What is the IUPAC name of 2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline?
The IUPAC name of 2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline (CID 145384372) is 2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline.
What is the SMILES notation for 2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline?
The canonical SMILES for 2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline is Nc1ccccc1CCc1ccc2c(c1)C(c1ccccc1)(c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1ccccc1-2.
What is the InChIKey of 2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline?
The InChIKey is BZNNVARZHXCVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c48-44-26-14-7-15-33(44)29-27-32-28-30-37-36-20-12-13-25-42(36)47(43(37)31-32,35-18-5-2-6-19-35)46-40-23-10-8-21-38(40)45(34-16-3-1-4-17-34)39-22-9-11-24-41(39)46/h1-26,28,30-31H,27,29,48H2.
What are the key properties of 2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline?
2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline has a molecular weight of 613.80 g/mol, XLogP of 11.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline is sourced from PubChem (CID 145384372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).