4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine

C37H28ClN — CID 177083937

IUPAC4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2cc(Cl)c(-c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C37H28ClN/c1-37(2)33-20-12-11-18-29(33)31-24-35(38)32(23-34(31)37)28-21-22-36(30-19-10-9-17-27(28)30)39(25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3-24H,1-2H3
InChIKeyVMCVJDHEDUWORY-UHFFFAOYSA-N
MW522.09 g/mol
LogP10.94
Rot. Bonds4

About 4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine

4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine (PubChem CID 177083937) has the molecular formula C37H28ClN and a molecular weight of 522.09 g/mol. Its IUPAC name is 4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine
PubChem CID177083937
Molecular FormulaC37H28ClN
Molecular Weight522.09 g/mol
Exact Mass521.19
IUPAC Name4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2cc(Cl)c(-c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C37H28ClN/c1-37(2)33-20-12-11-18-29(33)31-24-35(38)32(23-34(31)37)28-21-22-36(30-19-10-9-17-27(28)30)39(25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3-24H,1-2H3
InChIKeyVMCVJDHEDUWORY-UHFFFAOYSA-N
XLogP10.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.09
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine
CID 58903670
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine
CID 166987766
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379595
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170412528
7-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylphenanthren-2-amine
CID 177084268
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine
CID 170412509
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine
CID 168750034
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 155114386
9,9-dimethyl-N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]fluoren-2-amine
CID 123886768
9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 169039509
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine?
The IUPAC name of 4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine (CID 177083937) is 4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine.
What is the SMILES notation for 4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine?
The canonical SMILES for 4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine is CC1(C)c2ccccc2-c2cc(Cl)c(-c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of 4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine?
The InChIKey is VMCVJDHEDUWORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28ClN/c1-37(2)33-20-12-11-18-29(33)31-24-35(38)32(23-34(31)37)28-21-22-36(30-19-10-9-17-27(28)30)39(25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3-24H,1-2H3.
What are the key properties of 4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine?
4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine has a molecular weight of 522.09 g/mol, XLogP of 10.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine is sourced from PubChem (CID 177083937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).