N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C51H49N — CID 170141724

IUPACN-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)c1-2
InChIInChI=1S/C51H49N/c1-49(2,3)37-32-43(50(4,5)6)48-44(33-37)51(7,8)42-25-17-24-41(47(42)48)40-23-14-15-26-46(40)52(45-27-16-21-36-20-12-13-22-39(36)45)38-30-28-35(29-31-38)34-18-10-9-11-19-34/h9-33H,1-8H3
InChIKeyWBXKSUNAXPGJQQ-UHFFFAOYSA-N
MW675.96 g/mol
LogP14.54
Rot. Bonds5

About N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 170141724) has the molecular formula C51H49N and a molecular weight of 675.96 g/mol. Its IUPAC name is N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID170141724
Molecular FormulaC51H49N
Molecular Weight675.96 g/mol
Exact Mass675.39
IUPAC NameN-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)c1-2
InChIInChI=1S/C51H49N/c1-49(2,3)37-32-43(50(4,5)6)48-44(33-37)51(7,8)42-25-17-24-41(47(42)48)40-23-14-15-26-46(40)52(45-27-16-21-36-20-12-13-22-39(36)45)38-30-28-35(29-31-38)34-18-10-9-11-19-34/h9-33H,1-8H3
InChIKeyWBXKSUNAXPGJQQ-UHFFFAOYSA-N
XLogP14.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.96
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 170141974
N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 170141988
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 170134747
N-[4-(9,9-dimethyl-3,5-diphenylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 170529480
N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine
CID 170144220
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 170134955
N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067906
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 170141284
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
CID 170135025

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 170141724) is N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is CC(C)(C)c1cc(C(C)(C)C)c2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)c1-2.
What is the InChIKey of N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is WBXKSUNAXPGJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49N/c1-49(2,3)37-32-43(50(4,5)6)48-44(33-37)51(7,8)42-25-17-24-41(47(42)48)40-23-14-15-26-46(40)52(45-27-16-21-36-20-12-13-22-39(36)45)38-30-28-35(29-31-38)34-18-10-9-11-19-34/h9-33H,1-8H3.
What are the key properties of N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 675.96 g/mol, XLogP of 14.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 170141724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).