9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine

C49H37N — CID 169039673

IUPAC9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3ccccc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C49H37N/c1-49(2)45-32-31-39(33-44(45)48-43(24-14-25-46(48)49)36-17-7-4-8-18-36)50(47-26-12-11-22-42(47)35-15-5-3-6-16-35)38-29-27-37(28-30-38)41-23-13-20-34-19-9-10-21-40(34)41/h3-33H,1-2H3
InChIKeyWEUVTJJXBSDKPE-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.62
Rot. Bonds6

About 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine (PubChem CID 169039673) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine
PubChem CID169039673
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC Name9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3ccccc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C49H37N/c1-49(2)45-32-31-39(33-44(45)48-43(24-14-25-46(48)49)36-17-7-4-8-18-36)50(47-26-12-11-22-42(47)35-15-5-3-6-16-35)38-29-27-37(28-30-38)41-23-13-20-34-19-9-10-21-40(34)41/h3-33H,1-2H3
InChIKeyWEUVTJJXBSDKPE-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine
CID 169039849
N-[4-(9,9-dimethyl-3,5-diphenylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 170529480
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-naphthalen-1-ylphenanthren-2-amine
CID 169039825
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169019629
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 169039560
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 169020312
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,3-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019530
3-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019775

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine (CID 169039673) is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine is CC1(C)c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3ccccc3)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine?
The InChIKey is WEUVTJJXBSDKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)45-32-31-39(33-44(45)48-43(24-14-25-46(48)49)36-17-7-4-8-18-36)50(47-26-12-11-22-42(47)35-15-5-3-6-16-35)38-29-27-37(28-30-38)41-23-13-20-34-19-9-10-21-40(34)41/h3-33H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine?
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine has a molecular weight of 639.84 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 169039673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).