N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine

C59H43N — CID 168789566

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c3cc4ccccc4c4ccccc34)c21
InChIInChI=1S/C59H43N/c1-59(2)53-36-17-15-29-47(53)51-34-19-35-52(58(51)59)49-31-16-18-37-54(49)60(56-39-42-25-9-10-27-44(42)46-28-12-13-30-48(46)56)55-38-20-33-45(41-23-7-4-8-24-41)57(55)50-32-14-11-26-43(50)40-21-5-3-6-22-40/h3-39H,1-2H3
InChIKeySRYMNUNCTBTUKU-UHFFFAOYSA-N
MW766.00 g/mol
LogP16.44
Rot. Bonds7

About N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 168789566) has the molecular formula C59H43N and a molecular weight of 766.00 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine
PubChem CID168789566
Molecular FormulaC59H43N
Molecular Weight766.00 g/mol
Exact Mass765.34
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c3cc4ccccc4c4ccccc34)c21
InChIInChI=1S/C59H43N/c1-59(2)53-36-17-15-29-47(53)51-34-19-35-52(58(51)59)49-31-16-18-37-54(49)60(56-39-42-25-9-10-27-44(42)46-28-12-13-30-48(46)56)55-38-20-33-45(41-23-7-4-8-24-41)57(55)50-32-14-11-26-43(50)40-21-5-3-6-22-40/h3-39H,1-2H3
InChIKeySRYMNUNCTBTUKU-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.00
LogP ≤ 516.44
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-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-ylphenanthren-9-amine
CID 170665784
N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine
CID 170666105
N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502818
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790731
9,9-dimethyl-N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168790541
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789557
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789634
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168789107
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine
CID 164929478
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788393
N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788313
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline
CID 168788977

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine (CID 168789566) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine is CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c3cc4ccccc4c4ccccc34)c21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is SRYMNUNCTBTUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-59(2)53-36-17-15-29-47(53)51-34-19-35-52(58(51)59)49-31-16-18-37-54(49)60(56-39-42-25-9-10-27-44(42)46-28-12-13-30-48(46)56)55-38-20-33-45(41-23-7-4-8-24-41)57(55)50-32-14-11-26-43(50)40-21-5-3-6-22-40/h3-39H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine has a molecular weight of 766.00 g/mol, XLogP of 16.44, 7 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-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 168789566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).