N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine

C59H36N2OS — CID 163796101

IUPACN-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2c(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5ccccc45)cc3)cccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C59H36N2OS/c1-2-16-41-37(14-1)15-11-25-50(41)60(40-34-35-56-46(36-40)44-18-4-10-29-55(44)63-56)39-32-30-38(31-33-39)42-19-13-26-52-57(42)59(47-21-5-8-27-53(47)62-54-28-9-6-22-48(54)59)49-23-12-20-45-43-17-3-7-24-51(43)61(52)58(45)49/h1-36H
InChIKeyNAXLCDUJDONVCE-UHFFFAOYSA-N
MW821.02 g/mol
LogP16.24
Rot. Bonds4

About N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine

N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine (PubChem CID 163796101) has the molecular formula C59H36N2OS and a molecular weight of 821.02 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine
PubChem CID163796101
Molecular FormulaC59H36N2OS
Molecular Weight821.02 g/mol
Exact Mass820.25
IUPAC NameN-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2c(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5ccccc45)cc3)cccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C59H36N2OS/c1-2-16-41-37(14-1)15-11-25-50(41)60(40-34-35-56-46(36-40)44-18-4-10-29-55(44)63-56)39-32-30-38(31-33-39)42-19-13-26-52-57(42)59(47-21-5-8-27-53(47)62-54-28-9-6-22-48(54)59)49-23-12-20-45-43-17-3-7-24-51(43)61(52)58(45)49/h1-36H
InChIKeyNAXLCDUJDONVCE-UHFFFAOYSA-N
XLogP16.24
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.02
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine with MolForge

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Related Compounds

9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 164794544
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 164794957
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 161498713
9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 164794727
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166473
9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794886
17-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene]
CID 142509863
1'-dibenzothiophen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 140910417
N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine
CID 159933102
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 167322385
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;N-(4-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 160536193
N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine
CID 163812207

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine (CID 163796101) is N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine is c1ccc2c(c1)Oc1ccccc1C21c2c(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5ccccc45)cc3)cccc2-n2c3ccccc3c3cccc1c32.
What is the InChIKey of N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is NAXLCDUJDONVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2OS/c1-2-16-41-37(14-1)15-11-25-50(41)60(40-34-35-56-46(36-40)44-18-4-10-29-55(44)63-56)39-32-30-38(31-33-39)42-19-13-26-52-57(42)59(47-21-5-8-27-53(47)62-54-28-9-6-22-48(54)59)49-23-12-20-45-43-17-3-7-24-51(43)61(52)58(45)49/h1-36H.
What are the key properties of N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine?
N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine has a molecular weight of 821.02 g/mol, XLogP of 16.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-15-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 163796101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).