N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine

C53H43N — CID 163812608

IUPACN-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)C3c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C53H43N/c1-2-11-36(12-3-1)37-21-24-42(25-22-37)54(52-47-18-6-4-15-44(47)45-16-5-7-19-48(45)52)43-14-10-13-38(32-43)39-23-26-51-49(33-39)46-17-8-9-20-50(46)53(51)40-28-34-27-35(30-40)31-41(53)29-34/h1-26,32-35,40-41,52H,27-31H2
InChIKeyGPDWSEYSWIOXSM-UHFFFAOYSA-N
MW693.93 g/mol
LogP13.65
Rot. Bonds5

About N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine

N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine (PubChem CID 163812608) has the molecular formula C53H43N and a molecular weight of 693.93 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine
PubChem CID163812608
Molecular FormulaC53H43N
Molecular Weight693.93 g/mol
Exact Mass693.34
IUPAC NameN-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)C3c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C53H43N/c1-2-11-36(12-3-1)37-21-24-42(25-22-37)54(52-47-18-6-4-15-44(47)45-16-5-7-19-48(45)52)43-14-10-13-38(32-43)39-23-26-51-49(33-39)46-17-8-9-20-50(46)53(51)40-28-34-27-35(30-40)31-41(53)29-34/h1-26,32-35,40-41,52H,27-31H2
InChIKeyGPDWSEYSWIOXSM-UHFFFAOYSA-N
XLogP13.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.93
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline
CID 156573524
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567511
3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]
CID 165001984
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722800
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168723100
N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567475
N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573645
N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine
CID 156573702

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine?
The IUPAC name of N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine (CID 163812608) is N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)C3c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine?
The InChIKey is GPDWSEYSWIOXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N/c1-2-11-36(12-3-1)37-21-24-42(25-22-37)54(52-47-18-6-4-15-44(47)45-16-5-7-19-48(45)52)43-14-10-13-38(32-43)39-23-26-51-49(33-39)46-17-8-9-20-50(46)53(51)40-28-34-27-35(30-40)31-41(53)29-34/h1-26,32-35,40-41,52H,27-31H2.
What are the key properties of N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine?
N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine has a molecular weight of 693.93 g/mol, XLogP of 13.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-9H-fluoren-9-amine is sourced from PubChem (CID 163812608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).