N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine

C56H45N — CID 156567475

IUPACN-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)c3ccc(-c4ccccc4)c4ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C56H45N/c1-4-14-39(15-5-1)42-24-28-55(50(35-42)41-18-8-3-9-19-41)57(54-29-26-46(40-16-6-2-7-17-40)47-20-10-11-22-49(47)54)45-25-27-53-51(36-45)48-21-12-13-23-52(48)56(53)43-31-37-30-38(33-43)34-44(56)32-37/h1-29,35-38,43-44H,30-34H2
InChIKeyOXDUKENWHMATJX-UHFFFAOYSA-N
MW731.98 g/mol
LogP15.03
Rot. Bonds6

About N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine

N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine (PubChem CID 156567475) has the molecular formula C56H45N and a molecular weight of 731.98 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
PubChem CID156567475
Molecular FormulaC56H45N
Molecular Weight731.98 g/mol
Exact Mass731.36
IUPAC NameN-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)c3ccc(-c4ccccc4)c4ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C56H45N/c1-4-14-39(15-5-1)42-24-28-55(50(35-42)41-18-8-3-9-19-41)57(54-29-26-46(40-16-6-2-7-17-40)47-20-10-11-22-49(47)54)45-25-27-53-51(36-45)48-21-12-13-23-52(48)56(53)43-31-37-30-38(33-43)34-44(56)32-37/h1-29,35-38,43-44H,30-34H2
InChIKeyOXDUKENWHMATJX-UHFFFAOYSA-N
XLogP15.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.98
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050
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-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393830
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399556
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-phenanthren-9-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573590
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-amine
CID 170085576
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline
CID 156573524
N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine
CID 156573702
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine (CID 156567475) is N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)c3ccc(-c4ccccc4)c4ccccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The InChIKey is OXDUKENWHMATJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N/c1-4-14-39(15-5-1)42-24-28-55(50(35-42)41-18-8-3-9-19-41)57(54-29-26-46(40-16-6-2-7-17-40)47-20-10-11-22-49(47)54)45-25-27-53-51(36-45)48-21-12-13-23-52(48)56(53)43-31-37-30-38(33-43)34-44(56)32-37/h1-29,35-38,43-44H,30-34H2.
What are the key properties of N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine?
N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine has a molecular weight of 731.98 g/mol, XLogP of 15.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 156567475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).