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

C51H33N — CID 155303586

IUPACN-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C51H33N/c1-2-14-34(15-3-1)35-26-28-37(29-27-35)52(50-32-36-16-4-5-17-39(36)40-18-6-7-22-45(40)50)38-30-31-44-43-21-10-13-25-48(43)51(49(44)33-38)46-23-11-8-19-41(46)42-20-9-12-24-47(42)51/h1-33H
InChIKeyPNODLTXZGLEVPJ-UHFFFAOYSA-N
MW659.83 g/mol
LogP13.47
Rot. Bonds4

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

N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 155303586) has the molecular formula C51H33N and a molecular weight of 659.83 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID155303586
Molecular FormulaC51H33N
Molecular Weight659.83 g/mol
Exact Mass659.26
IUPAC NameN-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C51H33N/c1-2-14-34(15-3-1)35-26-28-37(29-27-35)52(50-32-36-16-4-5-17-39(36)40-18-6-7-22-45(40)50)38-30-31-44-43-21-10-13-25-48(43)51(49(44)33-38)46-23-11-8-19-41(46)42-20-9-12-24-47(42)51/h1-33H
InChIKeyPNODLTXZGLEVPJ-UHFFFAOYSA-N
XLogP13.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.83
LogP ≤ 513.47
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-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 139297927
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155303585
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304018
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 155303586) is N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is PNODLTXZGLEVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N/c1-2-14-34(15-3-1)35-26-28-37(29-27-35)52(50-32-36-16-4-5-17-39(36)40-18-6-7-22-45(40)50)38-30-31-44-43-21-10-13-25-48(43)51(49(44)33-38)46-23-11-8-19-41(46)42-20-9-12-24-47(42)51/h1-33H.
What are the key properties of N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 659.83 g/mol, XLogP of 13.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 155303586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).