N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine

C59H41N — CID 156558420

IUPACN-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4ccccc4c3-c3ccccc3)ccc21
InChIInChI=1S/C59H41N/c1-3-15-40(16-4-1)41-27-29-42(30-28-41)43-31-34-46(35-32-43)60(57-38-33-44-17-7-8-20-48(44)58(57)45-18-5-2-6-19-45)47-36-37-56-52(39-47)51-23-11-14-26-55(51)59(56)53-24-12-9-21-49(53)50-22-10-13-25-54(50)59/h1-12,14-24,26-39H,13,25H2
InChIKeyUTMTVCHAHOEFAS-UHFFFAOYSA-N
MW763.98 g/mol
LogP15.74
Rot. Bonds6

About N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine

N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine (PubChem CID 156558420) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
PubChem CID156558420
Molecular FormulaC59H41N
Molecular Weight763.98 g/mol
Exact Mass763.32
IUPAC NameN-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4ccccc4c3-c3ccccc3)ccc21
InChIInChI=1S/C59H41N/c1-3-15-40(16-4-1)41-27-29-42(30-28-41)43-31-34-46(35-32-43)60(57-38-33-44-17-7-8-20-48(44)58(57)45-18-5-2-6-19-45)47-36-37-56-52(39-47)51-23-11-14-26-55(51)59(56)53-24-12-9-21-49(53)50-22-10-13-25-54(50)59/h1-12,14-24,26-39H,13,25H2
InChIKeyUTMTVCHAHOEFAS-UHFFFAOYSA-N
XLogP15.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.98
LogP ≤ 515.74
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-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine
CID 166048481
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802278
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 156522503
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 139352859
9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine
CID 166705704
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-(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
N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine
CID 138583044
6-ethyl-5-methyl-3-[4-(4-phenyl-N-spiro[1,2-dihydrofluorene-9,11'-benzo[a]fluorene]-9'-ylanilino)phenyl]benzene-1,2,4-triol
CID 145137928
N-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine
CID 130379437
N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802152

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine?
The IUPAC name of N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine (CID 156558420) is N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine?
The canonical SMILES for N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine is C1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4ccccc4c3-c3ccccc3)ccc21.
What is the InChIKey of N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine?
The InChIKey is UTMTVCHAHOEFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-3-15-40(16-4-1)41-27-29-42(30-28-41)43-31-34-46(35-32-43)60(57-38-33-44-17-7-8-20-48(44)58(57)45-18-5-2-6-19-45)47-36-37-56-52(39-47)51-23-11-14-26-55(51)59(56)53-24-12-9-21-49(53)50-22-10-13-25-54(50)59/h1-12,14-24,26-39H,13,25H2.
What are the key properties of N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine?
N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine has a molecular weight of 763.98 g/mol, XLogP of 15.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine is sourced from PubChem (CID 156558420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).