N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine

C44H43N — CID 170538831

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)CCCC5)cc3)c3ccccc3C3CC4CCC3C4)cc21
InChIInChI=1S/C44H43N/c1-44(2)41-13-7-5-11-37(41)38-24-23-36(28-42(38)44)45(43-14-8-6-12-39(43)40-26-29-15-16-34(40)25-29)35-21-19-31(20-22-35)33-18-17-30-9-3-4-10-32(30)27-33/h5-8,11-14,17-24,27-29,34,40H,3-4,9-10,15-16,25-26H2,1-2H3
InChIKeyFWXGBCHHOJVHIJ-UHFFFAOYSA-N
MW585.84 g/mol
LogP11.91
Rot. Bonds5

About N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine

N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine (PubChem CID 170538831) has the molecular formula C44H43N and a molecular weight of 585.84 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
PubChem CID170538831
Molecular FormulaC44H43N
Molecular Weight585.84 g/mol
Exact Mass585.34
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)CCCC5)cc3)c3ccccc3C3CC4CCC3C4)cc21
InChIInChI=1S/C44H43N/c1-44(2)41-13-7-5-11-37(41)38-24-23-36(28-42(38)44)45(43-14-8-6-12-39(43)40-26-29-15-16-34(40)25-29)35-21-19-31(20-22-35)33-18-17-30-9-3-4-10-32(30)27-33/h5-8,11-14,17-24,27-29,34,40H,3-4,9-10,15-16,25-26H2,1-2H3
InChIKeyFWXGBCHHOJVHIJ-UHFFFAOYSA-N
XLogP11.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.84
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-diphenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538817
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738754
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170538805
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739075
18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-N-(9,9-dimethyl-5-phenylfluoren-2-yl)-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404030
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739466
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739015
2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791282
N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538778
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 168738878
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 168764943
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-2-ylfluoren-2-amine
CID 168738568

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine (CID 170538831) is N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)CCCC5)cc3)c3ccccc3C3CC4CCC3C4)cc21.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine?
The InChIKey is FWXGBCHHOJVHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43N/c1-44(2)41-13-7-5-11-37(41)38-24-23-36(28-42(38)44)45(43-14-8-6-12-39(43)40-26-29-15-16-34(40)25-29)35-21-19-31(20-22-35)33-18-17-30-9-3-4-10-32(30)27-33/h5-8,11-14,17-24,27-29,34,40H,3-4,9-10,15-16,25-26H2,1-2H3.
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine?
N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine has a molecular weight of 585.84 g/mol, XLogP of 11.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170538831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).