N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

C55H43N — CID 167235034

IUPACN-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cc(-c4cccc5ccccc45)ccc3C3=CC=CCC3)cc21
InChIInChI=1S/C55H43N/c1-55(2)52-23-12-11-21-50(52)51-35-33-46(37-53(51)55)56(45-31-28-41(29-32-45)40-26-24-39(25-27-40)38-14-5-3-6-15-38)54-36-44(30-34-49(54)43-16-7-4-8-17-43)48-22-13-19-42-18-9-10-20-47(42)48/h3-7,9-16,18-37H,8,17H2,1-2H3
InChIKeyZQCOKUHWRKUDFM-UHFFFAOYSA-N
MW717.96 g/mol
LogP15.35
Rot. Bonds7

About N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 167235034) has the molecular formula C55H43N and a molecular weight of 717.96 g/mol. Its IUPAC name is N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID167235034
Molecular FormulaC55H43N
Molecular Weight717.96 g/mol
Exact Mass717.34
IUPAC NameN-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cc(-c4cccc5ccccc45)ccc3C3=CC=CCC3)cc21
InChIInChI=1S/C55H43N/c1-55(2)52-23-12-11-21-50(52)51-35-33-46(37-53(51)55)56(45-31-28-41(29-32-45)40-26-24-39(25-27-40)38-14-5-3-6-15-38)54-36-44(30-34-49(54)43-16-7-4-8-17-43)48-22-13-19-42-18-9-10-20-47(42)48/h3-7,9-16,18-37H,8,17H2,1-2H3
InChIKeyZQCOKUHWRKUDFM-UHFFFAOYSA-N
XLogP15.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.96
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167235532
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 138723735
7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 144768218
N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 144583099
N-[4-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]naphthalen-1-yl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 118503357
9,9-dimethyl-7-naphthalen-1-yl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050412
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 155027615
9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500254
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

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 167235034) is N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cc(-c4cccc5ccccc45)ccc3C3=CC=CCC3)cc21.
What is the InChIKey of N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is ZQCOKUHWRKUDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N/c1-55(2)52-23-12-11-21-50(52)51-35-33-46(37-53(51)55)56(45-31-28-41(29-32-45)40-26-24-39(25-27-40)38-14-5-3-6-15-38)54-36-44(30-34-49(54)43-16-7-4-8-17-43)48-22-13-19-42-18-9-10-20-47(42)48/h3-7,9-16,18-37H,8,17H2,1-2H3.
What are the key properties of N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 717.96 g/mol, XLogP of 15.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 167235034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).