N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

C69H53N — CID 169028412

IUPACN-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1
InChIInChI=1S/C69H53N/c1-2-15-50(16-3-1)54-23-12-17-51-18-13-24-58(66(51)54)57-21-7-11-29-64(57)70(53-37-33-49(34-38-53)48-31-35-52(36-32-48)68-42-45-39-46(43-68)41-47(40-45)44-68)65-30-14-28-63-67(65)59-22-6-10-27-62(59)69(63)60-25-8-4-19-55(60)56-20-5-9-26-61(56)69/h1-38,45-47H,39-44H2
InChIKeyRMKIKUCBPVMUKH-UHFFFAOYSA-N
MW896.19 g/mol
LogP18.12
Rot. Bonds7

About N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 169028412) has the molecular formula C69H53N and a molecular weight of 896.19 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID169028412
Molecular FormulaC69H53N
Molecular Weight896.19 g/mol
Exact Mass895.42
IUPAC NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1
InChIInChI=1S/C69H53N/c1-2-15-50(16-3-1)54-23-12-17-51-18-13-24-58(66(51)54)57-21-7-11-29-64(57)70(53-37-33-49(34-38-53)48-31-35-52(36-32-48)68-42-45-39-46(43-68)41-47(40-45)44-68)65-30-14-28-63-67(65)59-22-6-10-27-62(59)69(63)60-25-8-4-19-55(60)56-20-5-9-26-61(56)69/h1-38,45-47H,39-44H2
InChIKeyRMKIKUCBPVMUKH-UHFFFAOYSA-N
XLogP18.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.19
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine
CID 169028376
N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 130197529
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 159219718
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028364
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701
4-[4-(1-adamantyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028585
CID 118153763
CID 118153763
N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170302327
N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine
CID 162222684

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 169028412) is N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1.
What is the InChIKey of N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is RMKIKUCBPVMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H53N/c1-2-15-50(16-3-1)54-23-12-17-51-18-13-24-58(66(51)54)57-21-7-11-29-64(57)70(53-37-33-49(34-38-53)48-31-35-52(36-32-48)68-42-45-39-46(43-68)41-47(40-45)44-68)65-30-14-28-63-67(65)59-22-6-10-27-62(59)69(63)60-25-8-4-19-55(60)56-20-5-9-26-61(56)69/h1-38,45-47H,39-44H2.
What are the key properties of N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 896.19 g/mol, XLogP of 18.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 169028412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).