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

C53H39N — CID 170666105

IUPACN-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3c(-c4ccccc4)cccc3N(c3cccc4ccccc34)c3ccc(-c4ccccc4)c4ccccc34)c21
InChIInChI=1S/C53H39N/c1-53(2)47-31-14-13-26-43(47)45-29-16-30-46(52(45)53)51-41(38-20-7-4-8-21-38)28-17-33-50(51)54(48-32-15-23-37-22-9-10-24-40(37)48)49-35-34-39(36-18-5-3-6-19-36)42-25-11-12-27-44(42)49/h3-35H,1-2H3
InChIKeyMNSPVEASLVIYOM-UHFFFAOYSA-N
MW689.90 g/mol
LogP14.77
Rot. Bonds6

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

N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine (PubChem CID 170666105) has the molecular formula C53H39N and a molecular weight of 689.90 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine
PubChem CID170666105
Molecular FormulaC53H39N
Molecular Weight689.90 g/mol
Exact Mass689.31
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3c(-c4ccccc4)cccc3N(c3cccc4ccccc34)c3ccc(-c4ccccc4)c4ccccc34)c21
InChIInChI=1S/C53H39N/c1-53(2)47-31-14-13-26-43(47)45-29-16-30-46(52(45)53)51-41(38-20-7-4-8-21-38)28-17-33-50(51)54(48-32-15-23-37-22-9-10-24-40(37)48)49-35-34-39(36-18-5-3-6-19-36)42-25-11-12-27-44(42)49/h3-35H,1-2H3
InChIKeyMNSPVEASLVIYOM-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.90
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-ylphenanthren-9-amine
CID 170665784
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 168789566
9,9-dimethyl-N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168790541
N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine
CID 170666047
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790736
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170217449
N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine
CID 170665787
9,9-dimethyl-N-naphthalen-1-yl-1-phenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 167197290
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788393
N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788313

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine (CID 170666105) is N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine is CC1(C)c2ccccc2-c2cccc(-c3c(-c4ccccc4)cccc3N(c3cccc4ccccc34)c3ccc(-c4ccccc4)c4ccccc34)c21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine?
The InChIKey is MNSPVEASLVIYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N/c1-53(2)47-31-14-13-26-43(47)45-29-16-30-46(52(45)53)51-41(38-20-7-4-8-21-38)28-17-33-50(51)54(48-32-15-23-37-22-9-10-24-40(37)48)49-35-34-39(36-18-5-3-6-19-36)42-25-11-12-27-44(42)49/h3-35H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine?
N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine has a molecular weight of 689.90 g/mol, XLogP of 14.77, 6 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-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine is sourced from PubChem (CID 170666105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).