N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine

C62H47N — CID 170116780

IUPACN-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc4c3ccc3ccccc34)cc2)c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc1
InChIInChI=1S/C62H47N/c1-3-18-43(19-4-1)48-22-7-8-23-51(48)53-24-9-10-25-54(53)57-27-12-14-31-61(57)63(47-37-39-60-58(42-47)56-26-11-13-30-59(56)62(60)40-15-2-16-41-62)46-35-32-45(33-36-46)50-28-17-29-52-49-21-6-5-20-44(49)34-38-55(50)52/h1,3-14,17-39,42H,2,15-16,40-41H2
InChIKeyZDTBWUMZNNVBNR-UHFFFAOYSA-N
MW806.07 g/mol
LogP17.36
Rot. Bonds7

About N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine

N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine (PubChem CID 170116780) has the molecular formula C62H47N and a molecular weight of 806.07 g/mol. Its IUPAC name is N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
PubChem CID170116780
Molecular FormulaC62H47N
Molecular Weight806.07 g/mol
Exact Mass805.37
IUPAC NameN-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc4c3ccc3ccccc34)cc2)c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc1
InChIInChI=1S/C62H47N/c1-3-18-43(19-4-1)48-22-7-8-23-51(48)53-24-9-10-25-54(53)57-27-12-14-31-61(57)63(47-37-39-60-58(42-47)56-26-11-13-30-59(56)62(60)40-15-2-16-41-62)46-35-32-45(33-36-46)50-28-17-29-52-49-21-6-5-20-44(49)34-38-55(50)52/h1,3-14,17-39,42H,2,15-16,40-41H2
InChIKeyZDTBWUMZNNVBNR-UHFFFAOYSA-N
XLogP17.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.07
LogP ≤ 517.36
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-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116295
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-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672313
N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672348
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine
CID 170119565
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
CID 170114215
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170139095
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116304
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170675902
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine
CID 170116614
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216077

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?
The IUPAC name of N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine (CID 170116780) is N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?
The canonical SMILES for N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc4c3ccc3ccccc34)cc2)c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc1.
What is the InChIKey of N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?
The InChIKey is ZDTBWUMZNNVBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N/c1-3-18-43(19-4-1)48-22-7-8-23-51(48)53-24-9-10-25-54(53)57-27-12-14-31-61(57)63(47-37-39-60-58(42-47)56-26-11-13-30-59(56)62(60)40-15-2-16-41-62)46-35-32-45(33-36-46)50-28-17-29-52-49-21-6-5-20-44(49)34-38-55(50)52/h1,3-14,17-39,42H,2,15-16,40-41H2.
What are the key properties of N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?
N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine has a molecular weight of 806.07 g/mol, XLogP of 17.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine is sourced from PubChem (CID 170116780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).