N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C53H35N — CID 139352546

IUPACN-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2cc3ccccc3cc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C53H35N/c1-3-15-36(16-4-1)47-33-38-17-7-8-18-39(38)34-48(47)37-27-29-41(30-28-37)54(40-19-5-2-6-20-40)42-31-32-46-45-23-11-14-26-51(45)53(52(46)35-42)49-24-12-9-21-43(49)44-22-10-13-25-50(44)53/h1-35H
InChIKeyVGIYIBWKDWELFU-UHFFFAOYSA-N
MW685.87 g/mol
LogP13.99
Rot. Bonds5

About N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 139352546) has the molecular formula C53H35N and a molecular weight of 685.87 g/mol. Its IUPAC name is N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID139352546
Molecular FormulaC53H35N
Molecular Weight685.87 g/mol
Exact Mass685.28
IUPAC NameN-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2cc3ccccc3cc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C53H35N/c1-3-15-36(16-4-1)47-33-38-17-7-8-18-39(38)34-48(47)37-27-29-41(30-28-37)54(40-19-5-2-6-20-40)42-31-32-46-45-23-11-14-26-51(45)53(52(46)35-42)49-24-12-9-21-43(49)44-22-10-13-25-50(44)53/h1-35H
InChIKeyVGIYIBWKDWELFU-UHFFFAOYSA-N
XLogP13.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.87
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121477535
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 156578662
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-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122470393
7-N',17-N'-diphenyl-7-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493907

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 139352546) is N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2cc3ccccc3cc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is VGIYIBWKDWELFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N/c1-3-15-36(16-4-1)47-33-38-17-7-8-18-39(38)34-48(47)37-27-29-41(30-28-37)54(40-19-5-2-6-20-40)42-31-32-46-45-23-11-14-26-51(45)53(52(46)35-42)49-24-12-9-21-43(49)44-22-10-13-25-50(44)53/h1-35H.
What are the key properties of N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 685.87 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 139352546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).