N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine

C50H41N — CID 155393830

IUPACN-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c3ccc4ccccc4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C50H41N/c1-3-11-35(12-4-1)39-20-24-49(46(31-39)37-14-5-2-6-15-37)51(42-21-19-36-13-7-8-16-38(36)30-42)43-22-23-45-44-17-9-10-18-47(44)50(48(45)32-43)40-26-33-25-34(28-40)29-41(50)27-33/h1-24,30-34,40-41H,25-29H2
InChIKeyGGZSPWAJGMSVOZ-UHFFFAOYSA-N
MW655.89 g/mol
LogP13.37
Rot. Bonds5

About N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine

N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 155393830) has the molecular formula C50H41N and a molecular weight of 655.89 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID155393830
Molecular FormulaC50H41N
Molecular Weight655.89 g/mol
Exact Mass655.32
IUPAC NameN-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c3ccc4ccccc4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C50H41N/c1-3-11-35(12-4-1)39-20-24-49(46(31-39)37-14-5-2-6-15-37)51(42-21-19-36-13-7-8-16-38(36)30-42)43-22-23-45-44-17-9-10-18-47(44)50(48(45)32-43)40-26-33-25-34(28-40)29-41(50)27-33/h1-24,30-34,40-41H,25-29H2
InChIKeyGGZSPWAJGMSVOZ-UHFFFAOYSA-N
XLogP13.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.89
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567475
N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393603
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722460
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393870
N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 174309937
N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine
CID 156567366
N-(2,4-diphenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 163855626
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399556

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine (CID 155393830) is N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)c3ccc4ccccc4c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is GGZSPWAJGMSVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41N/c1-3-11-35(12-4-1)39-20-24-49(46(31-39)37-14-5-2-6-15-37)51(42-21-19-36-13-7-8-16-38(36)30-42)43-22-23-45-44-17-9-10-18-47(44)50(48(45)32-43)40-26-33-25-34(28-40)29-41(50)27-33/h1-24,30-34,40-41H,25-29H2.
What are the key properties of N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 655.89 g/mol, XLogP of 13.37, 5 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-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 155393830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).