N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline

C54H43N — CID 176764727

IUPACN-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3ccccc3)c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2C1(C)C
InChIInChI=1S/C54H43N/c1-53(2)49-27-15-12-26-46(49)48-35-37(31-33-50(48)54(53,3)4)40-21-14-17-29-52(40)55(38-18-6-5-7-19-38)51-28-16-13-20-39(51)36-30-32-45-43-24-9-8-22-41(43)42-23-10-11-25-44(42)47(45)34-36/h5-35H,1-4H3
InChIKeyDLDONADWMPATLX-UHFFFAOYSA-N
MW705.95 g/mol
LogP15.19
Rot. Bonds5

About N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline

N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline (PubChem CID 176764727) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline.

Molecular Properties

Compound NameN-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline
PubChem CID176764727
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC NameN-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3ccccc3)c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2C1(C)C
InChIInChI=1S/C54H43N/c1-53(2)49-27-15-12-26-46(49)48-35-37(31-33-50(48)54(53,3)4)40-21-14-17-29-52(40)55(38-18-6-5-7-19-38)51-28-16-13-20-39(51)36-30-32-45-43-24-9-8-22-41(43)42-23-10-11-25-44(42)47(45)34-36/h5-35H,1-4H3
InChIKeyDLDONADWMPATLX-UHFFFAOYSA-N
XLogP15.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-[3-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline
CID 176764742
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170139095
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-3-amine
CID 177100674
N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 178165806
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline
CID 176764801
N-[2-(8,18-dimethylspiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-yl)phenyl]-N,2-diphenylaniline
CID 138568705
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 169062793
N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 122493599
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170675902
N-phenyl-N-(2-triphenylen-2-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine
CID 167177250
9,9-dimethyl-N-[2-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-phenylfluoren-2-amine
CID 167121363
N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine
CID 170139071

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline?
The IUPAC name of N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline (CID 176764727) is N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline.
What is the SMILES notation for N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline?
The canonical SMILES for N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline is CC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3ccccc3)c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2C1(C)C.
What is the InChIKey of N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline?
The InChIKey is DLDONADWMPATLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-53(2)49-27-15-12-26-46(49)48-35-37(31-33-50(48)54(53,3)4)40-21-14-17-29-52(40)55(38-18-6-5-7-19-38)51-28-16-13-20-39(51)36-30-32-45-43-24-9-8-22-41(43)42-23-10-11-25-44(42)47(45)34-36/h5-35H,1-4H3.
What are the key properties of N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline?
N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline has a molecular weight of 705.95 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline is sourced from PubChem (CID 176764727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).