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

C71H47N — CID 168789321

IUPACN-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2ccccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C71H47N/c1-3-22-48(23-4-1)55-31-9-10-36-63(55)70-57(50-24-5-2-6-25-50)38-21-39-64(70)62-35-14-18-43-69(62)72(52-29-19-28-51(46-52)56-37-20-27-49-26-7-8-30-54(49)56)53-44-45-61-60-34-13-17-42-67(60)71(68(61)47-53)65-40-15-11-32-58(65)59-33-12-16-41-66(59)71/h1-47H
InChIKeySQJFFFCFBXSMKA-UHFFFAOYSA-N
MW914.16 g/mol
LogP18.99
Rot. Bonds8

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

N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 168789321) has the molecular formula C71H47N and a molecular weight of 914.16 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID168789321
Molecular FormulaC71H47N
Molecular Weight914.16 g/mol
Exact Mass913.37
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2ccccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C71H47N/c1-3-22-48(23-4-1)55-31-9-10-36-63(55)70-57(50-24-5-2-6-25-50)38-21-39-64(70)62-35-14-18-43-69(62)72(52-29-19-28-51(46-52)56-37-20-27-49-26-7-8-30-54(49)56)53-44-45-61-60-34-13-17-42-67(60)71(68(61)47-53)65-40-15-11-32-58(65)59-33-12-16-41-66(59)71/h1-47H
InChIKeySQJFFFCFBXSMKA-UHFFFAOYSA-N
XLogP18.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.16
LogP ≤ 518.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788327
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
N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 170116159
9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170115713
N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421393
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-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156558424
7'-chloro-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 165158317
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583138
N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168790250
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168791070

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 168789321) is N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2ccccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is SQJFFFCFBXSMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N/c1-3-22-48(23-4-1)55-31-9-10-36-63(55)70-57(50-24-5-2-6-25-50)38-21-39-64(70)62-35-14-18-43-69(62)72(52-29-19-28-51(46-52)56-37-20-27-49-26-7-8-30-54(49)56)53-44-45-61-60-34-13-17-42-67(60)71(68(61)47-53)65-40-15-11-32-58(65)59-33-12-16-41-66(59)71/h1-47H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 914.16 g/mol, XLogP of 18.99, 8 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-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 168789321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).