ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine

C54H73N — CID 160929512

IUPACethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine
SMILESCC.CC.CC.CC.CC.CC.CCN(C)Cc1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C29H27N.C13H10.6C2H6/c1-3-30(2)21-22-12-11-15-24(20-22)29(23-13-5-4-6-14-23)27-18-9-7-16-25(27)26-17-8-10-19-28(26)29;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;6*1-2/h4-20H,3,21H2,1-2H3;1-8H,9H2;6*1-2H3
InChIKeySTBSFWRLPWXMGU-UHFFFAOYSA-N
MW736.18 g/mol
LogP15.92
Rot. Bonds5

About ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine

ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine (PubChem CID 160929512) has the molecular formula C54H73N and a molecular weight of 736.18 g/mol. Its IUPAC name is ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Nameethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine
PubChem CID160929512
Molecular FormulaC54H73N
Molecular Weight736.18 g/mol
Exact Mass735.57
IUPAC Nameethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine
SMILESCC.CC.CC.CC.CC.CC.CCN(C)Cc1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C29H27N.C13H10.6C2H6/c1-3-30(2)21-22-12-11-15-24(20-22)29(23-13-5-4-6-14-23)27-18-9-7-16-25(27)26-17-8-10-19-28(26)29;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;6*1-2/h4-20H,3,21H2,1-2H3;1-8H,9H2;6*1-2H3
InChIKeySTBSFWRLPWXMGU-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.18
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine?
The IUPAC name of ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine (CID 160929512) is ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine?
The canonical SMILES for ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine is CC.CC.CC.CC.CC.CC.CCN(C)Cc1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine?
The InChIKey is STBSFWRLPWXMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N.C13H10.6C2H6/c1-3-30(2)21-22-12-11-15-24(20-22)29(23-13-5-4-6-14-23)27-18-9-7-16-25(27)26-17-8-10-19-28(26)29;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;6*1-2/h4-20H,3,21H2,1-2H3;1-8H,9H2;6*1-2H3.
What are the key properties of ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine?
ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine has a molecular weight of 736.18 g/mol, XLogP of 15.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 160929512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).