N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine

C57H43N — CID 167219113

IUPACN-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc21
InChIInChI=1S/C57H43N/c1-56(2)51-29-13-12-26-48(51)49-33-31-43(36-53(49)56)58(42-24-14-21-40(35-42)46-27-15-20-38-19-10-11-25-45(38)46)44-32-34-50-54(37-44)57(3,41-22-8-5-9-23-41)52-30-16-28-47(55(50)52)39-17-6-4-7-18-39/h4-37H,1-3H3
InChIKeyKXQLUYDNVNASLO-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.28
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine (PubChem CID 167219113) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine
PubChem CID167219113
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc21
InChIInChI=1S/C57H43N/c1-56(2)51-29-13-12-26-48(51)49-33-31-43(36-53(49)56)58(42-24-14-21-40(35-42)46-27-15-20-38-19-10-11-25-45(38)46)44-32-34-50-54(37-44)57(3,41-22-8-5-9-23-41)52-30-16-28-47(55(50)52)39-17-6-4-7-18-39/h4-37H,1-3H3
InChIKeyKXQLUYDNVNASLO-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5,9-diphenylfluoren-2-amine
CID 167218837
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine
CID 167218668
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019826
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 169020283
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169019655
9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170115713
7-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenylfluoren-2-amine
CID 140919841
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine
CID 166974898
3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019619
3-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019775
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 171453203

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine (CID 167219113) is N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine?
The InChIKey is KXQLUYDNVNASLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-56(2)51-29-13-12-26-48(51)49-33-31-43(36-53(49)56)58(42-24-14-21-40(35-42)46-27-15-20-38-19-10-11-25-45(38)46)44-32-34-50-54(37-44)57(3,41-22-8-5-9-23-41)52-30-16-28-47(55(50)52)39-17-6-4-7-18-39/h4-37H,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine has a molecular weight of 741.98 g/mol, XLogP of 15.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine is sourced from PubChem (CID 167219113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).