N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine

C59H59N — CID 170529514

IUPACN,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(-c3ccccc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C59H59N/c1-57(2)53-15-9-14-50(44-10-5-3-6-11-44)56(53)52-30-51(45-12-7-4-8-13-45)55(31-54(52)57)60(48-20-16-46(17-21-48)58-32-38-24-39(33-58)26-40(25-38)34-58)49-22-18-47(19-23-49)59-35-41-27-42(36-59)29-43(28-41)37-59/h3-23,30-31,38-43H,24-29,32-37H2,1-2H3
InChIKeyWQUYIUCYNIUMGX-UHFFFAOYSA-N
MW782.13 g/mol
LogP15.73
Rot. Bonds7

About N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine

N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine (PubChem CID 170529514) has the molecular formula C59H59N and a molecular weight of 782.13 g/mol. Its IUPAC name is N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine
PubChem CID170529514
Molecular FormulaC59H59N
Molecular Weight782.13 g/mol
Exact Mass781.46
IUPAC NameN,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(-c3ccccc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C59H59N/c1-57(2)53-15-9-14-50(44-10-5-3-6-11-44)56(53)52-30-51(45-12-7-4-8-13-45)55(31-54(52)57)60(48-20-16-46(17-21-48)58-32-38-24-39(33-58)26-40(25-38)34-58)49-22-18-47(19-23-49)59-35-41-27-42(36-59)29-43(28-41)37-59/h3-23,30-31,38-43H,24-29,32-37H2,1-2H3
InChIKeyWQUYIUCYNIUMGX-UHFFFAOYSA-N
XLogP15.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.13
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-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

9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170529489
1-N-[4-(1-adamantyl)phenyl]-3-N-(9,9-dimethylfluoren-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 155421662
N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine
CID 162222684
3-N-[4-(1-adamantyl)phenyl]-18-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 171404029
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738714
9,9-dimethyl-5-naphthalen-2-yl-3-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170529491
N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181901
N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine
CID 170543238
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
CID 171416446

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine?
The IUPAC name of N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine (CID 170529514) is N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine.
What is the SMILES notation for N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine?
The canonical SMILES for N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(-c3ccccc3)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine?
The InChIKey is WQUYIUCYNIUMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H59N/c1-57(2)53-15-9-14-50(44-10-5-3-6-11-44)56(53)52-30-51(45-12-7-4-8-13-45)55(31-54(52)57)60(48-20-16-46(17-21-48)58-32-38-24-39(33-58)26-40(25-38)34-58)49-22-18-47(19-23-49)59-35-41-27-42(36-59)29-43(28-41)37-59/h3-23,30-31,38-43H,24-29,32-37H2,1-2H3.
What are the key properties of N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine?
N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine has a molecular weight of 782.13 g/mol, XLogP of 15.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine is sourced from PubChem (CID 170529514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).