N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine

C57H43N — CID 170117747

IUPACN-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(ccc4ccccc43)c2)c2cccc3c2-c2ccccc2C32CC3CCC2C3)cc1
InChIInChI=1S/C57H43N/c1-2-15-39(16-3-1)45-19-6-7-20-47(45)48-21-8-9-22-49(48)50-23-11-13-27-54(50)58(43-33-34-46-41(36-43)31-30-40-17-4-5-18-44(40)46)55-28-14-26-53-56(55)51-24-10-12-25-52(51)57(53)37-38-29-32-42(57)35-38/h1-28,30-31,33-34,36,38,42H,29,32,35,37H2
InChIKeyASEVYTNJCMDURV-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.55
Rot. Bonds6

About N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine

N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine (PubChem CID 170117747) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
PubChem CID170117747
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC NameN-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(ccc4ccccc43)c2)c2cccc3c2-c2ccccc2C32CC3CCC2C3)cc1
InChIInChI=1S/C57H43N/c1-2-15-39(16-3-1)45-19-6-7-20-47(45)48-21-8-9-22-49(48)50-23-11-13-27-54(50)58(43-33-34-46-41(36-43)31-30-40-17-4-5-18-44(40)46)55-28-14-26-53-56(55)51-24-10-12-25-52(51)57(53)37-38-29-32-42(57)35-38/h1-28,30-31,33-34,36,38,42H,29,32,35,37H2
InChIKeyASEVYTNJCMDURV-UHFFFAOYSA-N
XLogP15.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.55
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-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
CID 170116445
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 170118198
N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenanthren-2-amine
CID 166508480
N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508521
N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 170117119
N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508585
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508488
N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine
CID 166508757
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170216571
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508775
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508547
N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine (CID 170117747) is N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(ccc4ccccc43)c2)c2cccc3c2-c2ccccc2C32CC3CCC2C3)cc1.
What is the InChIKey of N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
The InChIKey is ASEVYTNJCMDURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-2-15-39(16-3-1)45-19-6-7-20-47(45)48-21-8-9-22-49(48)50-23-11-13-27-54(50)58(43-33-34-46-41(36-43)31-30-40-17-4-5-18-44(40)46)55-28-14-26-53-56(55)51-24-10-12-25-52(51)57(53)37-38-29-32-42(57)35-38/h1-28,30-31,33-34,36,38,42H,29,32,35,37H2.
What are the key properties of N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine has a molecular weight of 741.98 g/mol, XLogP of 15.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 170117747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).