N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine

C61H39N — CID 177274818

IUPACN-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc(-c3cc4ccccc4c4ccccc34)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C61H39N/c1-2-21-42(22-3-1)62(43-36-37-51-50-29-12-15-34-57(50)61(58(51)39-43)55-32-13-10-27-48(55)49-28-11-14-33-56(49)61)59-35-17-31-53(60(59)52-30-16-20-40-18-4-6-23-44(40)52)54-38-41-19-5-7-24-45(41)46-25-8-9-26-47(46)54/h1-39H
InChIKeyRBUMFNUJDLLICN-UHFFFAOYSA-N
MW785.99 g/mol
LogP16.29
Rot. Bonds5

About N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine

N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 177274818) has the molecular formula C61H39N and a molecular weight of 785.99 g/mol. Its IUPAC name is N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID177274818
Molecular FormulaC61H39N
Molecular Weight785.99 g/mol
Exact Mass785.31
IUPAC NameN-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc(-c3cc4ccccc4c4ccccc34)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C61H39N/c1-2-21-42(22-3-1)62(43-36-37-51-50-29-12-15-34-57(50)61(58(51)39-43)55-32-13-10-27-48(55)49-28-11-14-33-56(49)61)59-35-17-31-53(60(59)52-30-16-20-40-18-4-6-23-44(40)52)54-38-41-19-5-7-24-45(41)46-25-8-9-26-47(46)54/h1-39H
InChIKeyRBUMFNUJDLLICN-UHFFFAOYSA-N
XLogP16.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.99
LogP ≤ 516.29
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

11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788327
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
N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 139297927
2,3-dinaphthalen-1-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 177097134
7'-chloro-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 165158317
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303586
N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789321
2-N,2-N'-diphenyl-2-N-(1-phenylnaphthalen-2-yl)-2-N'-[1-(4-phenylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633832
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine (CID 177274818) is N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc(-c3cc4ccccc4c4ccccc34)c2-c2cccc3ccccc23)cc1.
What is the InChIKey of N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is RBUMFNUJDLLICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N/c1-2-21-42(22-3-1)62(43-36-37-51-50-29-12-15-34-57(50)61(58(51)39-43)55-32-13-10-27-48(55)49-28-11-14-33-56(49)61)59-35-17-31-53(60(59)52-30-16-20-40-18-4-6-23-44(40)52)54-38-41-19-5-7-24-45(41)46-25-8-9-26-47(46)54/h1-39H.
What are the key properties of N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 785.99 g/mol, XLogP of 16.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 177274818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).