N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine

C40H33N — CID 168801776

IUPACN-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3ccc4ccccc4c3-c3cccc4c3C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C40H33N/c1-39(2)33-18-9-8-15-29(33)32-24-26(21-22-35(32)39)41-36-23-20-25-12-5-6-13-27(25)37(36)31-17-11-16-30-28-14-7-10-19-34(28)40(3,4)38(30)31/h5-24,41H,1-4H3
InChIKeyYSUHISANVZPSMI-UHFFFAOYSA-N
MW527.71 g/mol
LogP10.86
Rot. Bonds3

About N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine

N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine (PubChem CID 168801776) has the molecular formula C40H33N and a molecular weight of 527.71 g/mol. Its IUPAC name is N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
PubChem CID168801776
Molecular FormulaC40H33N
Molecular Weight527.71 g/mol
Exact Mass527.26
IUPAC NameN-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3ccc4ccccc4c3-c3cccc4c3C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C40H33N/c1-39(2)33-18-9-8-15-29(33)32-24-26(21-22-35(32)39)41-36-23-20-25-12-5-6-13-27(25)37(36)31-17-11-16-30-28-14-7-10-19-34(28)40(3,4)38(30)31/h5-24,41H,1-4H3
InChIKeyYSUHISANVZPSMI-UHFFFAOYSA-N
XLogP10.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 510.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118360806
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine
CID 134401870
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine
CID 118462698
N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 156522410
N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
9,9-dimethyl-N-(2-methylphenyl)fluoren-3-amine
CID 156636262
5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene
CID 140710620
2-bromo-9,9-dimethylfluorene;3-bromo-9,9-dimethylfluorene;N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine;9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine;methane;1-naphthalen-1-ylnaphthalen-2-amine
CID 165010516
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 142567692

Frequently Asked Questions

What is the IUPAC name of N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine (CID 168801776) is N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(Nc3ccc4ccccc4c3-c3cccc4c3C(C)(C)c3ccccc3-4)ccc21.
What is the InChIKey of N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine?
The InChIKey is YSUHISANVZPSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N/c1-39(2)33-18-9-8-15-29(33)32-24-26(21-22-35(32)39)41-36-23-20-25-12-5-6-13-27(25)37(36)31-17-11-16-30-28-14-7-10-19-34(28)40(3,4)38(30)31/h5-24,41H,1-4H3.
What are the key properties of N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine?
N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine has a molecular weight of 527.71 g/mol, XLogP of 10.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 168801776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).