N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline

C46H37N — CID 143828967

IUPACN-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline
SMILESC=C(c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5ccccc5c4)ccc2-3)cc1)N(c1ccccc1)c1ccccc1C
InChIInChI=1S/C46H37N/c1-31-12-8-11-17-45(31)47(40-15-6-5-7-16-40)32(2)33-18-20-35(21-19-33)38-24-26-41-42-27-25-39(30-44(42)46(3,4)43(41)29-38)37-23-22-34-13-9-10-14-36(34)28-37/h5-30H,2H2,1,3-4H3
InChIKeyZVYQRNQVQOXDHN-UHFFFAOYSA-N
MW603.81 g/mol
LogP12.60
Rot. Bonds6

About N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline

N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline (PubChem CID 143828967) has the molecular formula C46H37N and a molecular weight of 603.81 g/mol. Its IUPAC name is N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline
PubChem CID143828967
Molecular FormulaC46H37N
Molecular Weight603.81 g/mol
Exact Mass603.29
IUPAC NameN-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline
SMILESC=C(c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5ccccc5c4)ccc2-3)cc1)N(c1ccccc1)c1ccccc1C
InChIInChI=1S/C46H37N/c1-31-12-8-11-17-45(31)47(40-15-6-5-7-16-40)32(2)33-18-20-35(21-19-33)38-24-26-41-42-27-25-39(30-44(42)46(3,4)43(41)29-38)37-23-22-34-13-9-10-14-36(34)28-37/h5-30H,2H2,1,3-4H3
InChIKeyZVYQRNQVQOXDHN-UHFFFAOYSA-N
XLogP12.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.81
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321797
9,9-dimethyl-N,7-dinaphthalen-2-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321537
N-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 177080053
9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217060

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline?
The IUPAC name of N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline (CID 143828967) is N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline.
What is the SMILES notation for N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline?
The canonical SMILES for N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline is C=C(c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5ccccc5c4)ccc2-3)cc1)N(c1ccccc1)c1ccccc1C.
What is the InChIKey of N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline?
The InChIKey is ZVYQRNQVQOXDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N/c1-31-12-8-11-17-45(31)47(40-15-6-5-7-16-40)32(2)33-18-20-35(21-19-33)38-24-26-41-42-27-25-39(30-44(42)46(3,4)43(41)29-38)37-23-22-34-13-9-10-14-36(34)28-37/h5-30H,2H2,1,3-4H3.
What are the key properties of N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline?
N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline has a molecular weight of 603.81 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]ethenyl]-2-methyl-N-phenylaniline is sourced from PubChem (CID 143828967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).