N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine

C49H37N — CID 166987766

IUPACN-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4)cc3N(c3ccccc3)c3ccc(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C49H37N/c1-49(2)45-25-15-14-23-42(45)43-29-27-37(32-46(43)49)40-28-26-36(34-16-6-3-7-17-34)33-48(40)50(38-20-10-5-11-21-38)47-31-30-39(35-18-8-4-9-19-35)41-22-12-13-24-44(41)47/h3-33H,1-2H3
InChIKeyXOYOLMHJARULCT-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.62
Rot. Bonds6

About N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine

N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine (PubChem CID 166987766) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine
PubChem CID166987766
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC NameN-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4)cc3N(c3ccccc3)c3ccc(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C49H37N/c1-49(2)45-25-15-14-23-42(45)43-29-27-37(32-46(43)49)40-28-26-36(34-16-6-3-7-17-34)33-48(40)50(38-20-10-5-11-21-38)47-31-30-39(35-18-8-4-9-19-35)41-22-12-13-24-44(41)47/h3-33H,1-2H3
InChIKeyXOYOLMHJARULCT-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167234037
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
11,11-dimethyl-N,9-diphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine
CID 170372991
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine
CID 168750034
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine (CID 166987766) is N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4)cc3N(c3ccccc3)c3ccc(-c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine?
The InChIKey is XOYOLMHJARULCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)45-25-15-14-23-42(45)43-29-27-37(32-46(43)49)40-28-26-36(34-16-6-3-7-17-34)33-48(40)50(38-20-10-5-11-21-38)47-31-30-39(35-18-8-4-9-19-35)41-22-12-13-24-44(41)47/h3-33H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine?
N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine has a molecular weight of 639.84 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine is sourced from PubChem (CID 166987766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).