N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine

C37H37N — CID 156556685

IUPACN-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccccc3-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21
InChIInChI=1S/C37H37N/c1-36(2)33-9-5-3-8-31(33)32-16-15-29(20-34(32)36)38-35-10-6-4-7-30(35)27-11-13-28(14-12-27)37-21-24-17-25(22-37)19-26(18-24)23-37/h3-16,20,24-26,38H,17-19,21-23H2,1-2H3
InChIKeyUHAOVECYYCGKMH-UHFFFAOYSA-N
MW495.71 g/mol
LogP9.87
Rot. Bonds4

About N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine

N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 156556685) has the molecular formula C37H37N and a molecular weight of 495.71 g/mol. Its IUPAC name is N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID156556685
Molecular FormulaC37H37N
Molecular Weight495.71 g/mol
Exact Mass495.29
IUPAC NameN-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccccc3-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21
InChIInChI=1S/C37H37N/c1-36(2)33-9-5-3-8-31(33)32-16-15-29(20-34(32)36)38-35-10-6-4-7-30(35)27-11-13-28(14-12-27)37-21-24-17-25(22-37)19-26(18-24)23-37/h3-16,20,24-26,38H,17-19,21-23H2,1-2H3
InChIKeyUHAOVECYYCGKMH-UHFFFAOYSA-N
XLogP9.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.71
LogP ≤ 59.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-cyclopentylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 177124729
2-(1-adamantyl)-9,9-dimethylfluorene
CID 59217277
3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene
CID 156756411
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
9,9-dimethyl-N-[4-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]fluoren-2-amine
CID 155421798
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
N-[2-(2-cyclobutylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 177124830
9,9-dimethyl-N-[2-(6-methyl-3-pyridinyl)phenyl]fluoren-2-amine
CID 156556730
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
9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine
CID 156557087
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine (CID 156556685) is N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccccc3-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21.
What is the InChIKey of N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is UHAOVECYYCGKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N/c1-36(2)33-9-5-3-8-31(33)32-16-15-29(20-34(32)36)38-35-10-6-4-7-30(35)27-11-13-28(14-12-27)37-21-24-17-25(22-37)19-26(18-24)23-37/h3-16,20,24-26,38H,17-19,21-23H2,1-2H3.
What are the key properties of N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 495.71 g/mol, XLogP of 9.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 156556685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).