N-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine

C43H33N — CID 166508551

IUPACN-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4ccccc4c3)c3cc4ccccc4c4ccccc34)cc1C21CC2CCC1C2
InChIInChI=1S/C43H33N/c1-2-10-30-24-33(20-18-29(30)9-1)44(42-25-31-11-3-4-12-35(31)36-13-5-6-15-39(36)42)34-21-22-38-37-14-7-8-16-40(37)43(41(38)26-34)27-28-17-19-32(43)23-28/h1-16,18,20-22,24-26,28,32H,17,19,23,27H2
InChIKeyYNBLFYNJBQVYNV-UHFFFAOYSA-N
MW563.74 g/mol
LogP11.70
Rot. Bonds3

About N-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine

N-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (PubChem CID 166508551) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
PubChem CID166508551
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC NameN-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4ccccc4c3)c3cc4ccccc4c4ccccc34)cc1C21CC2CCC1C2
InChIInChI=1S/C43H33N/c1-2-10-30-24-33(20-18-29(30)9-1)44(42-25-31-11-3-4-12-35(31)36-13-5-6-15-39(36)42)34-21-22-38-37-14-7-8-16-40(37)43(41(38)26-34)27-28-17-19-32(43)23-28/h1-16,18,20-22,24-26,28,32H,17,19,23,27H2
InChIKeyYNBLFYNJBQVYNV-UHFFFAOYSA-N
XLogP11.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 511.70
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-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508521
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-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine
CID 156567366
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-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508547
N-naphthalen-1-yl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
CID 168722690
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-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
N-(4-phenylnaphthalen-1-yl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722773
N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 170117747
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170217152
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenanthren-9-amine
CID 134464885

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (CID 166508551) is N-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is c1ccc2c(c1)-c1ccc(N(c3ccc4ccccc4c3)c3cc4ccccc4c4ccccc34)cc1C21CC2CCC1C2.
What is the InChIKey of N-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The InChIKey is YNBLFYNJBQVYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-2-10-30-24-33(20-18-29(30)9-1)44(42-25-31-11-3-4-12-35(31)36-13-5-6-15-39(36)42)34-21-22-38-37-14-7-8-16-40(37)43(41(38)26-34)27-28-17-19-32(43)23-28/h1-16,18,20-22,24-26,28,32H,17,19,23,27H2.
What are the key properties of N-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
N-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine has a molecular weight of 563.74 g/mol, XLogP of 11.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenanthren-9-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 166508551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).