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

C56H43N — CID 170142102

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(ccc5ccccc54)c3)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C56H43N/c1-55(2)49-27-12-8-22-47(49)53-44(23-16-28-50(53)55)42-20-9-13-29-51(42)57(38-33-34-40-37(35-38)32-31-36-17-5-6-18-39(36)40)52-30-14-10-21-43(52)46-25-15-24-45-41-19-7-11-26-48(41)56(3,4)54(45)46/h5-35H,1-4H3
InChIKeyCQFGQROPXHFDCO-UHFFFAOYSA-N
MW729.97 g/mol
LogP15.41
Rot. Bonds5

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

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine (PubChem CID 170142102) has the molecular formula C56H43N and a molecular weight of 729.97 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine
PubChem CID170142102
Molecular FormulaC56H43N
Molecular Weight729.97 g/mol
Exact Mass729.34
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(ccc5ccccc54)c3)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C56H43N/c1-55(2)49-27-12-8-22-47(49)53-44(23-16-28-50(53)55)42-20-9-13-29-51(42)57(38-33-34-40-37(35-38)32-31-36-17-5-6-18-39(36)40)52-30-14-10-21-43(52)46-25-15-24-45-41-19-7-11-26-48(41)56(3,4)54(45)46/h5-35H,1-4H3
InChIKeyCQFGQROPXHFDCO-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.97
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenanthren-2-amine
CID 170216868
N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 135271123
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 170142242
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 170143261
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-naphthalen-1-ylphenanthren-2-amine
CID 169039825
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170135293
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenanthren-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217241
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine
CID 164929456
N-chrysen-2-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 170139933
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170139672
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143480
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzothiol-7-ylphenyl)fluoren-2-amine
CID 170216934

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine (CID 170142102) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(ccc5ccccc54)c3)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine?
The InChIKey is CQFGQROPXHFDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N/c1-55(2)49-27-12-8-22-47(49)53-44(23-16-28-50(53)55)42-20-9-13-29-51(42)57(38-33-34-40-37(35-38)32-31-36-17-5-6-18-39(36)40)52-30-14-10-21-43(52)46-25-15-24-45-41-19-7-11-26-48(41)56(3,4)54(45)46/h5-35H,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine has a molecular weight of 729.97 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 170142102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).