N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

C65H55N — CID 169028364

IUPACN-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c3)cc21
InChIInChI=1S/C65H55N/c1-64(2)61-20-7-6-17-59(61)60-34-27-52(39-62(60)64)51-15-8-16-56(38-51)66(55-32-25-49(26-33-55)58-19-10-14-50-13-9-18-57(63(50)58)48-11-4-3-5-12-48)54-30-23-47(24-31-54)46-21-28-53(29-22-46)65-40-43-35-44(41-65)37-45(36-43)42-65/h3-34,38-39,43-45H,35-37,40-42H2,1-2H3
InChIKeyZVBLVOGYGARDRG-UHFFFAOYSA-N
MW850.16 g/mol
LogP17.75
Rot. Bonds8

About N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 169028364) has the molecular formula C65H55N and a molecular weight of 850.16 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID169028364
Molecular FormulaC65H55N
Molecular Weight850.16 g/mol
Exact Mass849.43
IUPAC NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c3)cc21
InChIInChI=1S/C65H55N/c1-64(2)61-20-7-6-17-59(61)60-34-27-52(39-62(60)64)51-15-8-16-56(38-51)66(55-32-25-49(26-33-55)58-19-10-14-50-13-9-18-57(63(50)58)48-11-4-3-5-12-48)54-30-23-47(24-31-54)46-21-28-53(29-22-46)65-40-43-35-44(41-65)37-45(36-43)42-65/h3-34,38-39,43-45H,35-37,40-42H2,1-2H3
InChIKeyZVBLVOGYGARDRG-UHFFFAOYSA-N
XLogP17.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.16
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline 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-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170115491
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[4-[7-(1-adamantyl)-9,9-dimethylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145346070
7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 169028750
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 130203868
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine
CID 169028376
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 130204057

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 169028364) is N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c3)cc21.
What is the InChIKey of N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is ZVBLVOGYGARDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H55N/c1-64(2)61-20-7-6-17-59(61)60-34-27-52(39-62(60)64)51-15-8-16-56(38-51)66(55-32-25-49(26-33-55)58-19-10-14-50-13-9-18-57(63(50)58)48-11-4-3-5-12-48)54-30-23-47(24-31-54)46-21-28-53(29-22-46)65-40-43-35-44(41-65)37-45(36-43)42-65/h3-34,38-39,43-45H,35-37,40-42H2,1-2H3.
What are the key properties of N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 850.16 g/mol, XLogP of 17.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 169028364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).