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

C53H35N — CID 130379437

IUPACN-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C53H35N/c1-3-16-36(17-4-1)37-30-33-40(34-31-37)54(39-19-5-2-6-20-39)50-35-32-38-18-7-8-21-41(38)51(50)46-26-15-25-45-44-24-11-14-29-49(44)53(52(45)46)47-27-12-9-22-42(47)43-23-10-13-28-48(43)53/h1-35H
InChIKeyZGWUNRJLWRVIAC-UHFFFAOYSA-N
MW685.87 g/mol
LogP13.99
Rot. Bonds5

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

N-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine (PubChem CID 130379437) has the molecular formula C53H35N and a molecular weight of 685.87 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine
PubChem CID130379437
Molecular FormulaC53H35N
Molecular Weight685.87 g/mol
Exact Mass685.28
IUPAC NameN-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C53H35N/c1-3-16-36(17-4-1)37-30-33-40(34-31-37)54(39-19-5-2-6-20-39)50-35-32-38-18-7-8-21-41(38)51(50)46-26-15-25-45-44-24-11-14-29-49(44)53(52(45)46)47-27-12-9-22-42(47)43-23-10-13-28-48(43)53/h1-35H
InChIKeyZGWUNRJLWRVIAC-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

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-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 140962790
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 145144966
N-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 139355095
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 156664766
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 137494931
N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline
CID 130380030
1-naphthalen-1-yl-N,N-diphenylnaphthalen-2-amine
CID 163843201
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611759
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylphenyl)fluoren-2-amine
CID 130380017
N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 140918851

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine (CID 130379437) is N-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine?
The InChIKey is ZGWUNRJLWRVIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N/c1-3-16-36(17-4-1)37-30-33-40(34-31-37)54(39-19-5-2-6-20-39)50-35-32-38-18-7-8-21-41(38)51(50)46-26-15-25-45-44-24-11-14-29-49(44)53(52(45)46)47-27-12-9-22-42(47)43-23-10-13-28-48(43)53/h1-35H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine?
N-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-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-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine is sourced from PubChem (CID 130379437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).