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

C65H43N — CID 168788327

IUPACN-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C65H43N/c1-3-20-44(21-4-1)51-29-9-10-33-58(51)64-53(46-22-5-2-6-23-46)35-19-39-63(64)66(48-27-17-26-47(42-48)52-34-18-25-45-24-7-8-28-50(45)52)49-40-41-57-56-32-13-16-38-61(56)65(62(57)43-49)59-36-14-11-30-54(59)55-31-12-15-37-60(55)65/h1-43H
InChIKeyODAKZIMYPSORCH-UHFFFAOYSA-N
MW838.07 g/mol
LogP17.32
Rot. Bonds7

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

N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 168788327) has the molecular formula C65H43N and a molecular weight of 838.07 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID168788327
Molecular FormulaC65H43N
Molecular Weight838.07 g/mol
Exact Mass837.34
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C65H43N/c1-3-20-44(21-4-1)51-29-9-10-33-58(51)64-53(46-22-5-2-6-23-46)35-19-39-63(64)66(48-27-17-26-47(42-48)52-34-18-25-45-24-7-8-28-50(45)52)49-40-41-57-56-32-13-16-38-61(56)65(62(57)43-49)59-36-14-11-30-54(59)55-31-12-15-37-60(55)65/h1-43H
InChIKeyODAKZIMYPSORCH-UHFFFAOYSA-N
XLogP17.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.07
LogP ≤ 517.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789321
N-naphthalen-1-yl-9,9-diphenyl-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168790205
N,7'-dinaphthalen-1-yl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 144583894
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
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788809
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790646
N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421393
N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 170116159
7'-chloro-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 165158317
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285489
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789323
N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177274818

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 168788327) is N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is ODAKZIMYPSORCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N/c1-3-20-44(21-4-1)51-29-9-10-33-58(51)64-53(46-22-5-2-6-23-46)35-19-39-63(64)66(48-27-17-26-47(42-48)52-34-18-25-45-24-7-8-28-50(45)52)49-40-41-57-56-32-13-16-38-61(56)65(62(57)43-49)59-36-14-11-30-54(59)55-31-12-15-37-60(55)65/h1-43H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 838.07 g/mol, XLogP of 17.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 168788327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).