N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C57H37N — CID 155303553

IUPACN-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C57H37N/c1-3-17-38(18-4-1)39-31-33-41(34-32-39)58(56-50-27-10-8-22-44(50)43-21-7-9-26-49(43)55(56)40-19-5-2-6-20-40)42-35-36-48-47-25-13-16-30-53(47)57(54(48)37-42)51-28-14-11-23-45(51)46-24-12-15-29-52(46)57/h1-37H
InChIKeyRRNWZBAPFHLLCK-UHFFFAOYSA-N
MW735.93 g/mol
LogP15.14
Rot. Bonds5

About N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 155303553) has the molecular formula C57H37N and a molecular weight of 735.93 g/mol. Its IUPAC name is N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID155303553
Molecular FormulaC57H37N
Molecular Weight735.93 g/mol
Exact Mass735.29
IUPAC NameN-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C57H37N/c1-3-17-38(18-4-1)39-31-33-41(34-32-39)58(56-50-27-10-8-22-44(50)43-21-7-9-26-49(43)55(56)40-19-5-2-6-20-40)42-35-36-48-47-25-13-16-30-53(47)57(54(48)37-42)51-28-14-11-23-45(51)46-24-12-15-29-52(46)57/h1-37H
InChIKeyRRNWZBAPFHLLCK-UHFFFAOYSA-N
XLogP15.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.93
LogP ≤ 515.14
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-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine
CID 155305027
N-[4-[4-[4-[3-[10-[4-[4-[4-[3-[10-[3,5-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]phenyl]-2-phenylphenyl]phenyl]-N-[10-(4-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine
CID 155304160
N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155305261
N-[10-[3-[6-[2-[3-[4-[4-[[10-[3-(2-phenylphenyl)phenyl]phenanthren-9-yl]-(9,9'-spirobi[fluorene]-2-yl)amino]phenyl]phenyl]phenyl]phenyl]naphthalen-2-yl]phenyl]phenanthren-9-yl]-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155305435
N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304168
N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304340
10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304182
N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304244
N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308450
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
10-phenyl-N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304163
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582

Frequently Asked Questions

What is the IUPAC name of N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 155303553) is N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is RRNWZBAPFHLLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N/c1-3-17-38(18-4-1)39-31-33-41(34-32-39)58(56-50-27-10-8-22-44(50)43-21-7-9-26-49(43)55(56)40-19-5-2-6-20-40)42-35-36-48-47-25-13-16-30-53(47)57(54(48)37-42)51-28-14-11-23-45(51)46-24-12-15-29-52(46)57/h1-37H.
What are the key properties of N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 735.93 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 155303553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).