9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine

C50H37N — CID 171453734

IUPAC9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3cccc4c3-c3ccccc3C4(C)c3ccccc3)c3cccc4ccccc34)ccc21
InChIInChI=1S/C50H37N/c1-49(35-19-5-3-6-20-35)42-26-13-11-24-39(42)41-33-37(31-32-44(41)49)51(46-29-15-18-34-17-9-10-23-38(34)46)47-30-16-28-45-48(47)40-25-12-14-27-43(40)50(45,2)36-21-7-4-8-22-36/h3-33H,1-2H3
InChIKeyRUVZZEQKUQKGAB-UHFFFAOYSA-N
MW651.85 g/mol
LogP12.98
Rot. Bonds5

About 9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine

9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine (PubChem CID 171453734) has the molecular formula C50H37N and a molecular weight of 651.85 g/mol. Its IUPAC name is 9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine.

Molecular Properties

Compound Name9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine
PubChem CID171453734
Molecular FormulaC50H37N
Molecular Weight651.85 g/mol
Exact Mass651.29
IUPAC Name9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3cccc4c3-c3ccccc3C4(C)c3ccccc3)c3cccc4ccccc34)ccc21
InChIInChI=1S/C50H37N/c1-49(35-19-5-3-6-20-35)42-26-13-11-24-39(42)41-33-37(31-32-44(41)49)51(46-29-15-18-34-17-9-10-23-38(34)46)47-30-16-28-45-48(47)40-25-12-14-27-43(40)50(45,2)36-21-7-4-8-22-36/h3-33H,1-2H3
InChIKeyRUVZZEQKUQKGAB-UHFFFAOYSA-N
XLogP12.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.85
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine
CID 171453417
N-(9-methyl-9-phenylfluoren-3-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169063703
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)phenanthren-9-amine
CID 171453100
N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine
CID 171453614
N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308581
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020096
N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453030
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine
CID 171453718
9-methyl-N-naphthalen-2-yl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020120
N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 146247516
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
CID 171453333
9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine
CID 142614739

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine?
The IUPAC name of 9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine (CID 171453734) is 9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine.
What is the SMILES notation for 9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine?
The canonical SMILES for 9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3cccc4c3-c3ccccc3C4(C)c3ccccc3)c3cccc4ccccc34)ccc21.
What is the InChIKey of 9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine?
The InChIKey is RUVZZEQKUQKGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N/c1-49(35-19-5-3-6-20-35)42-26-13-11-24-39(42)41-33-37(31-32-44(41)49)51(46-29-15-18-34-17-9-10-23-38(34)46)47-30-16-28-45-48(47)40-25-12-14-27-43(40)50(45,2)36-21-7-4-8-22-36/h3-33H,1-2H3.
What are the key properties of 9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine?
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine has a molecular weight of 651.85 g/mol, XLogP of 12.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine is sourced from PubChem (CID 171453734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).