N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine

C55H41N — CID 168788393

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)c21
InChIInChI=1S/C55H41N/c1-55(2)51-29-14-13-24-48(51)50-28-15-27-47(54(50)55)41-32-34-43(35-33-41)56(44-36-31-38-17-9-10-22-42(38)37-44)52-30-16-26-46(40-20-7-4-8-21-40)53(52)49-25-12-11-23-45(49)39-18-5-3-6-19-39/h3-37H,1-2H3
InChIKeyIBYDXTREXMEDBV-UHFFFAOYSA-N
MW715.94 g/mol
LogP15.28
Rot. Bonds7

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 168788393) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
PubChem CID168788393
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)c21
InChIInChI=1S/C55H41N/c1-55(2)51-29-14-13-24-48(51)50-28-15-27-47(54(50)55)41-32-34-43(35-33-41)56(44-36-31-38-17-9-10-22-42(38)37-44)52-30-16-26-46(40-20-7-4-8-21-40)53(52)49-25-12-11-23-45(49)39-18-5-3-6-19-39/h3-37H,1-2H3
InChIKeyIBYDXTREXMEDBV-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790996
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168788554
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790731
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168790399
9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285414
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789552
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789634
7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232111
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293376
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 167285354
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168789545

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine (CID 168788393) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is IBYDXTREXMEDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-55(2)51-29-14-13-24-48(51)50-28-15-27-47(54(50)55)41-32-34-43(35-33-41)56(44-36-31-38-17-9-10-22-42(38)37-44)52-30-16-26-46(40-20-7-4-8-21-40)53(52)49-25-12-11-23-45(49)39-18-5-3-6-19-39/h3-37H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine has a molecular weight of 715.94 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 168788393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).