N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine

C53H39N — CID 169019753

IUPACN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cccc5ccccc45)cc3)cccc21
InChIInChI=1S/C53H39N/c1-53(2)49-18-8-7-16-48(49)52-47(17-10-19-50(52)53)41-29-33-45(34-30-41)54(51-20-9-14-40-12-5-6-15-46(40)51)44-31-27-38(28-32-44)37-21-23-39(24-22-37)43-26-25-36-11-3-4-13-42(36)35-43/h3-35H,1-2H3
InChIKeyUAZIHQSHRSLCQC-UHFFFAOYSA-N
MW689.90 g/mol
LogP14.77
Rot. Bonds6

About N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine

N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine (PubChem CID 169019753) has the molecular formula C53H39N and a molecular weight of 689.90 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
PubChem CID169019753
Molecular FormulaC53H39N
Molecular Weight689.90 g/mol
Exact Mass689.31
IUPAC NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cccc5ccccc45)cc3)cccc21
InChIInChI=1S/C53H39N/c1-53(2)49-18-8-7-16-48(49)52-47(17-10-19-50(52)53)41-29-33-45(34-30-41)54(51-20-9-14-40-12-5-6-15-46(40)51)44-31-27-38(28-32-44)37-21-23-39(24-22-37)43-26-25-36-11-3-4-13-42(36)35-43/h3-35H,1-2H3
InChIKeyUAZIHQSHRSLCQC-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.90
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020471
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]fluoren-4-amine
CID 169019982
9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine
CID 169039849
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
9,9-dimethyl-N-(4-phenanthren-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789148
9,9-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170417611
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,3-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019530
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 155181875
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine
CID 169039700

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine (CID 169019753) is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cccc5ccccc45)cc3)cccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is UAZIHQSHRSLCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N/c1-53(2)49-18-8-7-16-48(49)52-47(17-10-19-50(52)53)41-29-33-45(34-30-41)54(51-20-9-14-40-12-5-6-15-46(40)51)44-31-27-38(28-32-44)37-21-23-39(24-22-37)43-26-25-36-11-3-4-13-42(36)35-43/h3-35H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine?
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 689.90 g/mol, XLogP of 14.77, 6 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-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 169019753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).