9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine

C41H31N — CID 169039849

IUPAC9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C41H31N/c1-41(2)37-25-24-33(27-36(37)40-35(19-11-20-38(40)41)30-13-4-3-5-14-30)42(32-23-22-28-12-6-7-16-31(28)26-32)39-21-10-17-29-15-8-9-18-34(29)39/h3-27H,1-2H3
InChIKeyWSPXYHGRDGQCFN-UHFFFAOYSA-N
MW537.71 g/mol
LogP11.44
Rot. Bonds4

About 9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine

9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine (PubChem CID 169039849) has the molecular formula C41H31N and a molecular weight of 537.71 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine
PubChem CID169039849
Molecular FormulaC41H31N
Molecular Weight537.71 g/mol
Exact Mass537.25
IUPAC Name9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C41H31N/c1-41(2)37-25-24-33(27-36(37)40-35(19-11-20-38(40)41)30-13-4-3-5-14-30)42(32-23-22-28-12-6-7-16-31(28)26-32)39-21-10-17-29-15-8-9-18-34(29)39/h3-27H,1-2H3
InChIKeyWSPXYHGRDGQCFN-UHFFFAOYSA-N
XLogP11.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-naphthalen-1-ylphenanthren-2-amine
CID 169039825
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 169039673
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine
CID 169039700
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019753
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 170417565
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232157
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170135293
N-[4-(9,9-dimethyl-3,5-diphenylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 170529480
N-naphthalen-2-yl-4'-[4-[4-[naphthalen-1-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177958
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine (CID 169039849) is 9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine is CC1(C)c2ccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine?
The InChIKey is WSPXYHGRDGQCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N/c1-41(2)37-25-24-33(27-36(37)40-35(19-11-20-38(40)41)30-13-4-3-5-14-30)42(32-23-22-28-12-6-7-16-31(28)26-32)39-21-10-17-29-15-8-9-18-34(29)39/h3-27H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine?
9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine has a molecular weight of 537.71 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine is sourced from PubChem (CID 169039849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).