9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine

C47H35N — CID 177114163

IUPAC9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(Nc3ccc(-c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)cc3)cccc21
InChIInChI=1S/C47H35N/c1-47(2)43-11-6-5-10-42(43)46-44(47)12-7-13-45(46)48-41-26-24-33(25-27-41)32-14-16-34(17-15-32)36-20-21-39-30-40(23-22-38(39)29-36)37-19-18-31-8-3-4-9-35(31)28-37/h3-30,48H,1-2H3
InChIKeyRWDKGBGRBMTGNS-UHFFFAOYSA-N
MW613.80 g/mol
LogP13.04
Rot. Bonds5

About 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine

9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine (PubChem CID 177114163) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine
PubChem CID177114163
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(Nc3ccc(-c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)cc3)cccc21
InChIInChI=1S/C47H35N/c1-47(2)43-11-6-5-10-42(43)46-44(47)12-7-13-45(46)48-41-26-24-33(25-27-41)32-14-16-34(17-15-32)36-20-21-39-30-40(23-22-38(39)29-36)37-19-18-31-8-3-4-9-35(31)28-37/h3-30,48H,1-2H3
InChIKeyRWDKGBGRBMTGNS-UHFFFAOYSA-N
XLogP13.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.80
LogP ≤ 513.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine
CID 118462698
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine
CID 170289309
N-[4-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 177114125
N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 172544682
9,9,14,14-tetramethyl-6-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140710622
2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 134535870
9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 121358619
4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile
CID 122666287
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine (CID 177114163) is 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(Nc3ccc(-c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)cc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine?
The InChIKey is RWDKGBGRBMTGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)43-11-6-5-10-42(43)46-44(47)12-7-13-45(46)48-41-26-24-33(25-27-41)32-14-16-34(17-15-32)36-20-21-39-30-40(23-22-38(39)29-36)37-19-18-31-8-3-4-9-35(31)28-37/h3-30,48H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine?
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine has a molecular weight of 613.80 g/mol, XLogP of 13.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine is sourced from PubChem (CID 177114163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).