N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C59H39N — CID 156558424

IUPACN-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C59H39N/c1-3-17-40(18-4-1)46-22-12-16-30-57(46)60(44-34-31-42(32-35-44)48-37-33-41-19-7-8-23-47(41)58(48)43-20-5-2-6-21-43)45-36-38-52-51-26-11-15-29-55(51)59(56(52)39-45)53-27-13-9-24-49(53)50-25-10-14-28-54(50)59/h1-39H
InChIKeyUNSZIINBFAEZKM-UHFFFAOYSA-N
MW761.97 g/mol
LogP15.65
Rot. Bonds6

About N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 156558424) has the molecular formula C59H39N and a molecular weight of 761.97 g/mol. Its IUPAC name is N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID156558424
Molecular FormulaC59H39N
Molecular Weight761.97 g/mol
Exact Mass761.31
IUPAC NameN-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C59H39N/c1-3-17-40(18-4-1)46-22-12-16-30-57(46)60(44-34-31-42(32-35-44)48-37-33-41-19-7-8-23-47(41)58(48)43-20-5-2-6-21-43)45-36-38-52-51-26-11-15-29-55(51)59(56(52)39-45)53-27-13-9-24-49(53)50-25-10-14-28-54(50)59/h1-39H
InChIKeyUNSZIINBFAEZKM-UHFFFAOYSA-N
XLogP15.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-N-[4-[1-[4-(4-phenylphenyl)phenyl]naphthalen-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166048497
3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 177286626
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160671954
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-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 139355095
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 139352859
9-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-4-amine
CID 166048544
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527006
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158116026
N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
CID 140961739
N-(2,4-diphenylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 165015821
2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633873

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 156558424) is N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is UNSZIINBFAEZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N/c1-3-17-40(18-4-1)46-22-12-16-30-57(46)60(44-34-31-42(32-35-44)48-37-33-41-19-7-8-23-47(41)58(48)43-20-5-2-6-21-43)45-36-38-52-51-26-11-15-29-55(51)59(56(52)39-45)53-27-13-9-24-49(53)50-25-10-14-28-54(50)59/h1-39H.
What are the key properties of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 761.97 g/mol, XLogP of 15.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 156558424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).