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

C40H33N — CID 164774415

IUPACN-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3cc4ccccc4cc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C40H33N/c1-39(2)35-16-10-8-14-30(35)33-24-28(18-20-36(33)39)41-38-23-26-12-6-5-11-25(26)21-32(38)27-17-19-31-29-13-7-9-15-34(29)40(3,4)37(31)22-27/h5-24,41H,1-4H3
InChIKeyOWTARJKILGVBSC-UHFFFAOYSA-N
MW527.71 g/mol
LogP10.86
Rot. Bonds3

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

N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine (PubChem CID 164774415) has the molecular formula C40H33N and a molecular weight of 527.71 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
PubChem CID164774415
Molecular FormulaC40H33N
Molecular Weight527.71 g/mol
Exact Mass527.26
IUPAC NameN-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3cc4ccccc4cc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C40H33N/c1-39(2)35-16-10-8-14-30(35)33-24-28(18-20-36(33)39)41-38-23-26-12-6-5-11-25(26)21-32(38)27-17-19-31-29-13-7-9-15-34(29)40(3,4)37(31)22-27/h5-24,41H,1-4H3
InChIKeyOWTARJKILGVBSC-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

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Related Compounds

9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine
CID 134401870
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
9,9-dimethyl-N-(2-methylphenyl)fluoren-3-amine
CID 156636262
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 166659129
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine (CID 164774415) is N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(Nc3cc4ccccc4cc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine?
The InChIKey is OWTARJKILGVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N/c1-39(2)35-16-10-8-14-30(35)33-24-28(18-20-36(33)39)41-38-23-26-12-6-5-11-25(26)21-32(38)27-17-19-31-29-13-7-9-15-34(29)40(3,4)37(31)22-27/h5-24,41H,1-4H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine?
N-[3-(9,9-dimethylfluoren-2-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-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 164774415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).