N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C55H45N — CID 170140988

IUPACN-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)cccc21
InChIInChI=1S/C55H45N/c1-4-55(5-2)49-28-16-13-25-47(49)53-46(26-18-29-50(53)55)45-24-14-17-30-52(45)56(41-33-31-39(32-34-41)38-19-8-6-9-20-38)42-35-36-44-43-23-12-15-27-48(43)54(3,51(44)37-42)40-21-10-7-11-22-40/h6-37H,4-5H2,1-3H3
InChIKeyIICOWXVQTKENBI-UHFFFAOYSA-N
MW719.97 g/mol
LogP14.91
Rot. Bonds8

About N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 170140988) has the molecular formula C55H45N and a molecular weight of 719.97 g/mol. Its IUPAC name is N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID170140988
Molecular FormulaC55H45N
Molecular Weight719.97 g/mol
Exact Mass719.36
IUPAC NameN-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)cccc21
InChIInChI=1S/C55H45N/c1-4-55(5-2)49-28-16-13-25-47(49)53-46(26-18-29-50(53)55)45-24-14-17-30-52(45)56(41-33-31-39(32-34-41)38-19-8-6-9-20-38)42-35-36-44-43-23-12-15-27-48(43)54(3,51(44)37-42)40-21-10-7-11-22-40/h6-37H,4-5H2,1-3H3
InChIKeyIICOWXVQTKENBI-UHFFFAOYSA-N
XLogP14.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.97
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170140987
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170141356
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303937
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171453157
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303515
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine
CID 170143764
2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169019481

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 170140988) is N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is CCC1(CC)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)cccc21.
What is the InChIKey of N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is IICOWXVQTKENBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45N/c1-4-55(5-2)49-28-16-13-25-47(49)53-46(26-18-29-50(53)55)45-24-14-17-30-52(45)56(41-33-31-39(32-34-41)38-19-8-6-9-20-38)42-35-36-44-43-23-12-15-27-48(43)54(3,51(44)37-42)40-21-10-7-11-22-40/h6-37H,4-5H2,1-3H3.
What are the key properties of N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 719.97 g/mol, XLogP of 14.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 170140988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).