N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine

C74H69N — CID 177067274

IUPACN-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
SMILESCC(C)(C)c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C74H69N/c1-70(2,3)52-25-29-57(30-26-52)73(55-17-9-7-10-18-55)66-23-15-13-21-62(66)64-39-37-60(44-68(64)73)75(59-35-33-54(34-36-59)72-46-49-41-50(47-72)43-51(42-49)48-72)61-38-40-65-63-22-14-16-24-67(63)74(69(65)45-61,56-19-11-8-12-20-56)58-31-27-53(28-32-58)71(4,5)6/h7-40,44-45,49-51H,41-43,46-48H2,1-6H3
InChIKeyYYSQLJSCYZWRLP-UHFFFAOYSA-N
MW972.37 g/mol
LogP18.95
Rot. Bonds8

About N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine

N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine (PubChem CID 177067274) has the molecular formula C74H69N and a molecular weight of 972.37 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
PubChem CID177067274
Molecular FormulaC74H69N
Molecular Weight972.37 g/mol
Exact Mass971.54
IUPAC NameN-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
SMILESCC(C)(C)c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C74H69N/c1-70(2,3)52-25-29-57(30-26-52)73(55-17-9-7-10-18-55)66-23-15-13-21-62(66)64-39-37-60(44-68(64)73)75(59-35-33-54(34-36-59)72-46-49-41-50(47-72)43-51(42-49)48-72)61-38-40-65-63-22-14-16-24-67(63)74(69(65)45-61,56-19-11-8-12-20-56)58-31-27-53(28-32-58)71(4,5)6/h7-40,44-45,49-51H,41-43,46-48H2,1-6H3
InChIKeyYYSQLJSCYZWRLP-UHFFFAOYSA-N
XLogP18.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.37
LogP ≤ 518.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(1-adamantyl)phenyl]-3,6-ditert-butyl-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2'-amine
CID 177067356
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067286
9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067384
N-(4-tert-butylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-fluorophenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 162199344
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177067096
N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine
CID 171453091
9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067292
9,9-bis(4-tert-butylphenyl)-N,N-bis(4-cyclohexylphenyl)fluoren-2-amine
CID 166020872
9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067246
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine
CID 177067063
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158846091

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine (CID 177067274) is N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine is CC(C)(C)c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc32)cc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine?
The InChIKey is YYSQLJSCYZWRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H69N/c1-70(2,3)52-25-29-57(30-26-52)73(55-17-9-7-10-18-55)66-23-15-13-21-62(66)64-39-37-60(44-68(64)73)75(59-35-33-54(34-36-59)72-46-49-41-50(47-72)43-51(42-49)48-72)61-38-40-65-63-22-14-16-24-67(63)74(69(65)45-61,56-19-11-8-12-20-56)58-31-27-53(28-32-58)71(4,5)6/h7-40,44-45,49-51H,41-43,46-48H2,1-6H3.
What are the key properties of N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine?
N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine has a molecular weight of 972.37 g/mol, XLogP of 18.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine is sourced from PubChem (CID 177067274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).