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

C43H33N — CID 168764863

IUPACN-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(Nc5ccccc5-c5ccccc5)cc4)c4ccccc34)cc21
InChIInChI=1S/C43H33N/c1-43(2)40-18-10-8-17-38(40)39-25-22-31(28-41(39)43)34-27-26-33(36-15-6-7-16-37(34)36)30-20-23-32(24-21-30)44-42-19-11-9-14-35(42)29-12-4-3-5-13-29/h3-28,44H,1-2H3
InChIKeyFKGASTOORBPFHB-UHFFFAOYSA-N
MW563.74 g/mol
LogP11.89
Rot. Bonds5

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

N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline (PubChem CID 168764863) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
PubChem CID168764863
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC NameN-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(Nc5ccccc5-c5ccccc5)cc4)c4ccccc34)cc21
InChIInChI=1S/C43H33N/c1-43(2)40-18-10-8-17-38(40)39-25-22-31(28-41(39)43)34-27-26-33(36-15-6-7-16-37(34)36)30-20-23-32(24-21-30)44-42-19-11-9-14-35(42)29-12-4-3-5-13-29/h3-28,44H,1-2H3
InChIKeyFKGASTOORBPFHB-UHFFFAOYSA-N
XLogP11.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 511.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline
CID 118682439
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427220
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151610
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-ethenylnaphthalen-1-amine
CID 156757141

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline?
The IUPAC name of N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline (CID 168764863) is N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline.
What is the SMILES notation for N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline?
The canonical SMILES for N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(Nc5ccccc5-c5ccccc5)cc4)c4ccccc34)cc21.
What is the InChIKey of N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline?
The InChIKey is FKGASTOORBPFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-43(2)40-18-10-8-17-38(40)39-25-22-31(28-41(39)43)34-27-26-33(36-15-6-7-16-37(34)36)30-20-23-32(24-21-30)44-42-19-11-9-14-35(42)29-12-4-3-5-13-29/h3-28,44H,1-2H3.
What are the key properties of N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline?
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline has a molecular weight of 563.74 g/mol, XLogP of 11.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline is sourced from PubChem (CID 168764863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).