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

C54H47N — CID 170538817

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-diphenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5CCCC6)cc4)c4ccccc4C4CC5CCC4C5)cc32)cc1
InChIInChI=1S/C54H47N/c1-3-16-41(17-4-1)54(42-18-5-2-6-19-42)51-24-11-9-21-47(51)48-33-32-44(36-52(48)54)55(53-25-12-10-22-49(53)50-35-37-26-27-40(50)34-37)43-30-28-39(29-31-43)46-23-13-15-38-14-7-8-20-45(38)46/h1-6,9-13,15-19,21-25,28-33,36-37,40,50H,7-8,14,20,26-27,34-35H2
InChIKeyNECCZFCGSGRNST-UHFFFAOYSA-N
MW709.98 g/mol
LogP13.97
Rot. Bonds7

About 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

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 (PubChem CID 170538817) has the molecular formula C54H47N and a molecular weight of 709.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-diphenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
PubChem CID170538817
Molecular FormulaC54H47N
Molecular Weight709.98 g/mol
Exact Mass709.37
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-diphenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5CCCC6)cc4)c4ccccc4C4CC5CCC4C5)cc32)cc1
InChIInChI=1S/C54H47N/c1-3-16-41(17-4-1)54(42-18-5-2-6-19-42)51-24-11-9-21-47(51)48-33-32-44(36-52(48)54)55(53-25-12-10-22-49(53)50-35-37-26-27-40(50)34-37)43-30-28-39(29-31-43)46-23-13-15-38-14-7-8-20-45(38)46/h1-6,9-13,15-19,21-25,28-33,36-37,40,50H,7-8,14,20,26-27,34-35H2
InChIKeyNECCZFCGSGRNST-UHFFFAOYSA-N
XLogP13.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.98
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 170538695
N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538778
5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538650
N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170538669
11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
CID 170538764
5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170538703
7,7-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 170538642
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170445420
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
9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538841
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538705

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5CCCC6)cc4)c4ccccc4C4CC5CCC4C5)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is NECCZFCGSGRNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47N/c1-3-16-41(17-4-1)54(42-18-5-2-6-19-42)51-24-11-9-21-47(51)48-33-32-44(36-52(48)54)55(53-25-12-10-22-49(53)50-35-37-26-27-40(50)34-37)43-30-28-39(29-31-43)46-23-13-15-38-14-7-8-20-45(38)46/h1-6,9-13,15-19,21-25,28-33,36-37,40,50H,7-8,14,20,26-27,34-35H2.
What are the key properties of 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?
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 has a molecular weight of 709.98 g/mol, XLogP of 13.97, 7 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-diphenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170538817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).