9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine

C57H43N — CID 167285489

IUPAC9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C57H43N/c1-57(2)53-34-17-16-31-50(53)51-37-36-45(39-54(51)57)58(44-27-18-26-43(38-44)48-30-13-12-28-46(48)40-20-6-3-7-21-40)55-35-19-33-49(42-24-10-5-11-25-42)56(55)52-32-15-14-29-47(52)41-22-8-4-9-23-41/h3-39H,1-2H3
InChIKeyLKSPGVHQPAIXGH-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.80
Rot. Bonds8

About 9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine

9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 167285489) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is 9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID167285489
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC Name9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C57H43N/c1-57(2)53-34-17-16-31-50(53)51-37-36-45(39-54(51)57)58(44-27-18-26-43(38-44)48-30-13-12-28-46(48)40-20-6-3-7-21-40)55-35-19-33-49(42-24-10-5-11-25-42)56(55)52-32-15-14-29-47(52)41-22-8-4-9-23-41/h3-39H,1-2H3
InChIKeyLKSPGVHQPAIXGH-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788809
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168788466
N-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 170665562
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788736
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
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
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 177286692
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168790399
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline
CID 168788977

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine (CID 167285489) is 9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is LKSPGVHQPAIXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-57(2)53-34-17-16-31-50(53)51-37-36-45(39-54(51)57)58(44-27-18-26-43(38-44)48-30-13-12-28-46(48)40-20-6-3-7-21-40)55-35-19-33-49(42-24-10-5-11-25-42)56(55)52-32-15-14-29-47(52)41-22-8-4-9-23-41/h3-39H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 741.98 g/mol, XLogP of 15.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 167285489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).