N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C48H39N — CID 167293184

IUPACN-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3c(-c4ccccc4)cccc3N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C48H39N/c1-47(2)42-24-14-12-21-38(42)40-30-33(26-29-43(40)47)46-36(32-16-7-5-8-17-32)22-15-25-45(46)49(34-18-9-6-10-19-34)35-27-28-39-37-20-11-13-23-41(37)48(3,4)44(39)31-35/h5-31H,1-4H3
InChIKeyBYEKNIPHSSYOKP-UHFFFAOYSA-N
MW629.85 g/mol
LogP13.10
Rot. Bonds5

About N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 167293184) has the molecular formula C48H39N and a molecular weight of 629.85 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID167293184
Molecular FormulaC48H39N
Molecular Weight629.85 g/mol
Exact Mass629.31
IUPAC NameN-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3c(-c4ccccc4)cccc3N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C48H39N/c1-47(2)42-24-14-12-21-38(42)40-30-33(26-29-43(40)47)46-36(32-16-7-5-8-17-32)22-15-25-45(46)49(34-18-9-6-10-19-34)35-27-28-39-37-20-11-13-23-41(37)48(3,4)44(39)31-35/h5-31H,1-4H3
InChIKeyBYEKNIPHSSYOKP-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.85
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285595
N-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 170665562
9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293376
N-[3-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 170665738
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789981
9,9-dimethyl-N-phenyl-N-[2-phenyl-3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167293244
10-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-N-phenyl-2-N-(2-phenylphenyl)-2-N-(4-phenylphenyl)indeno[1,2-b]fluorene-2,10-diamine
CID 138462008
N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 167285837
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168791038
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285846
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285489

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 167293184) is N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3c(-c4ccccc4)cccc3N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is BYEKNIPHSSYOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N/c1-47(2)42-24-14-12-21-38(42)40-30-33(26-29-43(40)47)46-36(32-16-7-5-8-17-32)22-15-25-45(46)49(34-18-9-6-10-19-34)35-27-28-39-37-20-11-13-23-41(37)48(3,4)44(39)31-35/h5-31H,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 629.85 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 167293184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).