N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine

C79H55N — CID 170303939

IUPACN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine
SMILESCc1cccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)c1
InChIInChI=1S/C79H55N/c1-54-24-20-27-58(52-54)64-39-21-25-56-26-22-40-68(76(56)64)67-37-16-19-44-74(67)80(75-45-23-43-72-77(75)69-38-15-18-42-71(69)78(72,59-28-6-2-7-29-59)60-30-8-3-9-31-60)63-49-46-55(47-50-63)57-48-51-66-65-36-14-17-41-70(65)79(73(66)53-57,61-32-10-4-11-33-61)62-34-12-5-13-35-62/h2-53H,1H3
InChIKeyQRSRYXAUWRRWRO-UHFFFAOYSA-N
MW1018.32 g/mol
LogP20.35
Rot. Bonds10

About N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine (PubChem CID 170303939) has the molecular formula C79H55N and a molecular weight of 1018.32 g/mol. Its IUPAC name is N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine
PubChem CID170303939
Molecular FormulaC79H55N
Molecular Weight1018.32 g/mol
Exact Mass1017.43
IUPAC NameN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine
SMILESCc1cccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)c1
InChIInChI=1S/C79H55N/c1-54-24-20-27-58(52-54)64-39-21-25-56-26-22-40-68(76(56)64)67-37-16-19-44-74(67)80(75-45-23-43-72-77(75)69-38-15-18-42-71(69)78(72,59-28-6-2-7-29-59)60-30-8-3-9-31-60)63-49-46-55(47-50-63)57-48-51-66-65-36-14-17-41-70(65)79(73(66)53-57,61-32-10-4-11-33-61)62-34-12-5-13-35-62/h2-53H,1H3
InChIKeyQRSRYXAUWRRWRO-UHFFFAOYSA-N
XLogP20.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.32
LogP ≤ 520.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170291958
N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291967
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 123459868
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 135193258
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 166566442
3,5-ditert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291584
N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 121423349
N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 167234200
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548483
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]aniline
CID 170293847
N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020516
2'-[4-(N-phenylanilino)phenyl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 140915456

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine (CID 170303939) is N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine is Cc1cccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)c1.
What is the InChIKey of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine?
The InChIKey is QRSRYXAUWRRWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H55N/c1-54-24-20-27-58(52-54)64-39-21-25-56-26-22-40-68(76(56)64)67-37-16-19-44-74(67)80(75-45-23-43-72-77(75)69-38-15-18-42-71(69)78(72,59-28-6-2-7-29-59)60-30-8-3-9-31-60)63-49-46-55(47-50-63)57-48-51-66-65-36-14-17-41-70(65)79(73(66)53-57,61-32-10-4-11-33-61)62-34-12-5-13-35-62/h2-53H,1H3.
What are the key properties of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine?
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine has a molecular weight of 1018.32 g/mol, XLogP of 20.35, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 170303939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).