9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine

C59H43N — CID 177274896

IUPAC9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4ccccc4)c3-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C59H43N/c1-59(2)55-29-14-13-27-52(55)53-36-35-47(39-56(53)59)60(46-33-31-41(32-34-46)44-23-15-22-43(37-44)40-17-5-3-6-18-40)57-30-16-28-49(42-19-7-4-8-20-42)58(57)54-38-45-21-9-10-24-48(45)50-25-11-12-26-51(50)54/h3-39H,1-2H3
InChIKeyFUZVLMXACQFGCQ-UHFFFAOYSA-N
MW766.00 g/mol
LogP16.44
Rot. Bonds7

About 9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 177274896) has the molecular formula C59H43N and a molecular weight of 766.00 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID177274896
Molecular FormulaC59H43N
Molecular Weight766.00 g/mol
Exact Mass765.34
IUPAC Name9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4ccccc4)c3-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C59H43N/c1-59(2)55-29-14-13-27-52(55)53-36-35-47(39-56(53)59)60(46-33-31-41(32-34-46)44-23-15-22-43(37-44)40-17-5-3-6-18-40)57-30-16-28-49(42-19-7-4-8-20-42)58(57)54-38-45-21-9-10-24-48(45)50-25-11-12-26-51(50)54/h3-39H,1-2H3
InChIKeyFUZVLMXACQFGCQ-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

9,9-dimethyl-N-[2-phenanthren-9-yl-3-(3-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 177274461
9,9-dimethyl-N-[2-phenanthren-9-yl-3-(3-phenylphenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177274751
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789557
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine
CID 177274863
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285595
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166566462
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790736
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine
CID 166031628
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine (CID 177274896) is 9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4ccccc4)c3-c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is FUZVLMXACQFGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-59(2)55-29-14-13-27-52(55)53-36-35-47(39-56(53)59)60(46-33-31-41(32-34-46)44-23-15-22-43(37-44)40-17-5-3-6-18-40)57-30-16-28-49(42-19-7-4-8-20-42)58(57)54-38-45-21-9-10-24-48(45)50-25-11-12-26-51(50)54/h3-39H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-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 9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 177274896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).