N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine

C62H45N — CID 167197300

IUPACN-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(-c3ccccc3)c21
InChIInChI=1S/C62H45N/c1-61(2)57-31-16-14-29-53(57)56-40-49(39-55(60(56)61)43-19-6-3-7-20-43)63(47-35-33-44(34-36-47)51-30-18-22-42-21-12-13-27-50(42)51)48-37-38-54-52-28-15-17-32-58(52)62(59(54)41-48,45-23-8-4-9-24-45)46-25-10-5-11-26-46/h3-41H,1-2H3
InChIKeyAEDMZFAHNVZSNN-UHFFFAOYSA-N
MW804.05 g/mol
LogP16.31
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine (PubChem CID 167197300) has the molecular formula C62H45N and a molecular weight of 804.05 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine
PubChem CID167197300
Molecular FormulaC62H45N
Molecular Weight804.05 g/mol
Exact Mass803.36
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(-c3ccccc3)c21
InChIInChI=1S/C62H45N/c1-61(2)57-31-16-14-29-53(57)56-40-49(39-55(60(56)61)43-19-6-3-7-20-43)63(47-35-33-44(34-36-47)51-30-18-22-42-21-12-13-27-50(42)51)48-37-38-54-52-28-15-17-32-58(52)62(59(54)41-48,45-23-8-4-9-24-45)46-25-10-5-11-26-46/h3-41H,1-2H3
InChIKeyAEDMZFAHNVZSNN-UHFFFAOYSA-N
XLogP16.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.05
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 160929151
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-yl-2-phenylphenyl)fluoren-2-amine
CID 155181598
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine
CID 140919922
N,N-bis(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-2-yl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 157319192
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 171453203
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321800
N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159070500
9,9-dimethyl-N-naphthalen-1-yl-N-[4-phenyl-3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]fluoren-2-amine
CID 169292946
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169064351
7-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenylfluoren-2-amine
CID 140919841

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine (CID 167197300) is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(-c3ccccc3)c21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine?
The InChIKey is AEDMZFAHNVZSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N/c1-61(2)57-31-16-14-29-53(57)56-40-49(39-55(60(56)61)43-19-6-3-7-20-43)63(47-35-33-44(34-36-47)51-30-18-22-42-21-12-13-27-50(42)51)48-37-38-54-52-28-15-17-32-58(52)62(59(54)41-48,45-23-8-4-9-24-45)46-25-10-5-11-26-46/h3-41H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine?
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine has a molecular weight of 804.05 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine is sourced from PubChem (CID 167197300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).