4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile

C44H32N2 — CID 170665986

IUPAC4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4ccccc4)cccc3N(c3ccc(C#N)cc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C44H32N2/c1-44(2)40-17-9-8-15-38(40)39-26-22-34(28-41(39)44)43-37(32-12-4-3-5-13-32)16-10-18-42(43)46(35-23-19-30(29-45)20-24-35)36-25-21-31-11-6-7-14-33(31)27-36/h3-28H,1-2H3
InChIKeyMTJGYMSZCNZBLS-UHFFFAOYSA-N
MW588.75 g/mol
LogP11.82
Rot. Bonds5

About 4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile

4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile (PubChem CID 170665986) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile.

Molecular Properties

Compound Name4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile
PubChem CID170665986
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4ccccc4)cccc3N(c3ccc(C#N)cc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C44H32N2/c1-44(2)40-17-9-8-15-38(40)39-26-22-34(28-41(39)44)43-37(32-12-4-3-5-13-32)16-10-18-42(43)46(35-23-19-30(29-45)20-24-35)36-25-21-31-11-6-7-14-33(31)27-36/h3-28H,1-2H3
InChIKeyMTJGYMSZCNZBLS-UHFFFAOYSA-N
XLogP11.82
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285595
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788393
N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293184
N-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 170665562
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine
CID 166031628
4-[N-(9,9-dimethylfluoren-2-yl)-4-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anilino]benzonitrile
CID 90307925
N-[3-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 170665738
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 166566031
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321797
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168788554

Frequently Asked Questions

What is the IUPAC name of 4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile?
The IUPAC name of 4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile (CID 170665986) is 4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile.
What is the SMILES notation for 4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile?
The canonical SMILES for 4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile is CC1(C)c2ccccc2-c2ccc(-c3c(-c4ccccc4)cccc3N(c3ccc(C#N)cc3)c3ccc4ccccc4c3)cc21.
What is the InChIKey of 4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile?
The InChIKey is MTJGYMSZCNZBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-44(2)40-17-9-8-15-38(40)39-26-22-34(28-41(39)44)43-37(32-12-4-3-5-13-32)16-10-18-42(43)46(35-23-19-30(29-45)20-24-35)36-25-21-31-11-6-7-14-33(31)27-36/h3-28H,1-2H3.
What are the key properties of 4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile?
4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile has a molecular weight of 588.75 g/mol, XLogP of 11.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-3-phenylanilino]benzonitrile is sourced from PubChem (CID 170665986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).