N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine

C62H45N — CID 167324312

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c21
InChIInChI=1S/C62H45N/c1-61(2)55-33-13-11-28-52(55)53-32-17-31-51(60(53)61)43-37-39-47(40-38-43)63(48-26-15-21-44(41-48)50-30-16-20-42-19-9-10-27-49(42)50)58-36-18-35-57-59(58)54-29-12-14-34-56(54)62(57,45-22-5-3-6-23-45)46-24-7-4-8-25-46/h3-41H,1-2H3
InChIKeyXOSHSQCPZLTVES-UHFFFAOYSA-N
MW804.05 g/mol
LogP16.31
Rot. Bonds7

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 167324312) has the molecular formula C62H45N and a molecular weight of 804.05 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID167324312
Molecular FormulaC62H45N
Molecular Weight804.05 g/mol
Exact Mass803.36
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c21
InChIInChI=1S/C62H45N/c1-61(2)55-33-13-11-28-52(55)53-32-17-31-51(60(53)61)43-37-39-47(40-38-43)63(48-26-15-21-44(41-48)50-30-16-20-42-19-9-10-27-49(42)50)58-36-18-35-57-59(58)54-29-12-14-34-56(54)62(57,45-22-5-3-6-23-45)46-24-7-4-8-25-46/h3-41H,1-2H3
InChIKeyXOSHSQCPZLTVES-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-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 126548871
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167324472
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267118
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine;9,9-dimethyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 158455101
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 168846186
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 129230832
N-[4-[7-[4-[4-(4-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]naphthalen-1-yl]phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167247172

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 167324312) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is XOSHSQCPZLTVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N/c1-61(2)55-33-13-11-28-52(55)53-32-17-31-51(60(53)61)43-37-39-47(40-38-43)63(48-26-15-21-44(41-48)50-30-16-20-42-19-9-10-27-49(42)50)58-36-18-35-57-59(58)54-29-12-14-34-56(54)62(57,45-22-5-3-6-23-45)46-24-7-4-8-25-46/h3-41H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-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-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 167324312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).