N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

C57H49N — CID 159328306

IUPACN-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESCC1(C)c2ccccc2C2(c3cc(-c4cccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)c4)ccc31)C1CC3CC(C1)CC2C3
InChIInChI=1S/C57H49N/c1-56(2)51-21-7-8-22-53(51)57(44-31-37-30-38(33-44)34-45(57)32-37)54-36-43(26-29-52(54)56)42-16-9-17-47(35-42)58(55-23-11-15-40-13-4-6-19-50(40)55)46-27-24-41(25-28-46)49-20-10-14-39-12-3-5-18-48(39)49/h3-29,35-38,44-45H,30-34H2,1-2H3
InChIKeyXRMCNKWPRGZKFE-UHFFFAOYSA-N
MW748.03 g/mol
LogP15.18
Rot. Bonds5

About N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (PubChem CID 159328306) has the molecular formula C57H49N and a molecular weight of 748.03 g/mol. Its IUPAC name is N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
PubChem CID159328306
Molecular FormulaC57H49N
Molecular Weight748.03 g/mol
Exact Mass747.39
IUPAC NameN-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESCC1(C)c2ccccc2C2(c3cc(-c4cccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)c4)ccc31)C1CC3CC(C1)CC2C3
InChIInChI=1S/C57H49N/c1-56(2)51-21-7-8-22-53(51)57(44-31-37-30-38(33-44)34-45(57)32-37)54-36-43(26-29-52(54)56)42-16-9-17-47(35-42)58(55-23-11-15-40-13-4-6-19-50(40)55)46-27-24-41(25-28-46)49-20-10-14-39-12-3-5-18-48(39)49/h3-29,35-38,44-45H,30-34H2,1-2H3
InChIKeyXRMCNKWPRGZKFE-UHFFFAOYSA-N
XLogP15.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.03
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 161255941
CID 161255941
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
N-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 156573632
N-(4-naphthalen-1-ylphenyl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine
CID 176595859
N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393699
N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 163885225
N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(3-naphthalen-1-ylphenyl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-phenanthren-2-ylphenyl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 157226955
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722937
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744605
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 158875023
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399556
N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-thioxanthene]-1'-amine
CID 176595501

Frequently Asked Questions

What is the IUPAC name of N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (CID 159328306) is N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is CC1(C)c2ccccc2C2(c3cc(-c4cccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)c4)ccc31)C1CC3CC(C1)CC2C3.
What is the InChIKey of N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The InChIKey is XRMCNKWPRGZKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49N/c1-56(2)51-21-7-8-22-53(51)57(44-31-37-30-38(33-44)34-45(57)32-37)54-36-43(26-29-52(54)56)42-16-9-17-47(35-42)58(55-23-11-15-40-13-4-6-19-50(40)55)46-27-24-41(25-28-46)49-20-10-14-39-12-3-5-18-48(39)49/h3-29,35-38,44-45H,30-34H2,1-2H3.
What are the key properties of N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine has a molecular weight of 748.03 g/mol, XLogP of 15.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 159328306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).