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

C53H43N — CID 156573645

IUPACN-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(C3c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C53H43N/c1-2-13-36(14-3-1)42-17-9-11-24-51(42)54(40-16-12-15-37(32-40)52-46-21-6-4-18-43(46)44-19-5-7-22-47(44)52)41-25-26-50-48(33-41)45-20-8-10-23-49(45)53(50)38-28-34-27-35(30-38)31-39(53)29-34/h1-26,32-35,38-39,52H,27-31H2
InChIKeyMXBWNEOXNSPFHY-UHFFFAOYSA-N
MW693.93 g/mol
LogP13.71
Rot. Bonds5

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

N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine (PubChem CID 156573645) has the molecular formula C53H43N and a molecular weight of 693.93 g/mol. Its IUPAC name is N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
PubChem CID156573645
Molecular FormulaC53H43N
Molecular Weight693.93 g/mol
Exact Mass693.34
IUPAC NameN-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(C3c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C53H43N/c1-2-13-36(14-3-1)42-17-9-11-24-51(42)54(40-16-12-15-37(32-40)52-46-21-6-4-18-43(46)44-19-5-7-22-47(44)52)41-25-26-50-48(33-41)45-20-8-10-23-49(45)53(50)38-28-34-27-35(30-38)31-39(53)29-34/h1-26,32-35,38-39,52H,27-31H2
InChIKeyMXBWNEOXNSPFHY-UHFFFAOYSA-N
XLogP13.71
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 ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085165
N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722342
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine
CID 167413813
9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 167413773
N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567982
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine
CID 156567971
N-[3-(9H-fluoren-9-yl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-3-amine
CID 155649906
1-N,6-N-diphenyl-6-N-spiro[adamantane-2,9'-fluorene]-3'-yl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 166050368
N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 174309937

Frequently Asked Questions

What is the IUPAC name of N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The IUPAC name of N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine (CID 156573645) is N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The canonical SMILES for N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine is c1ccc(-c2ccccc2N(c2cccc(C3c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The InChIKey is MXBWNEOXNSPFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N/c1-2-13-36(14-3-1)42-17-9-11-24-51(42)54(40-16-12-15-37(32-40)52-46-21-6-4-18-43(46)44-19-5-7-22-47(44)52)41-25-26-50-48(33-41)45-20-8-10-23-49(45)53(50)38-28-34-27-35(30-38)31-39(53)29-34/h1-26,32-35,38-39,52H,27-31H2.
What are the key properties of N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine has a molecular weight of 693.93 g/mol, XLogP of 13.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 156573645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).