5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine

C220H160N4Si4 — CID 165099013

IUPAC5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine
SMILESC[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4ccccc4c3)c3cc4ccccc4cc3-c3ccccc3)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4ccccc4c3)c3ccc4cc(-c5ccccc5)ccc4c3)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccccc3)c3c(-c4ccccc4)ccc4ccccc34)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccccc3)c3cccc4c(-c5ccccc5)cccc34)cc21
InChIInChI=1S/2C57H41NSi.2C53H39NSi/c1-59(2)54-25-11-10-23-51(54)57(50-22-9-8-20-48(50)49-21-12-18-40-19-13-24-53(57)56(40)49)52-33-32-47(37-55(52)59)58(45-30-28-39-16-6-7-17-41(39)35-45)46-31-29-43-34-42(26-27-44(43)36-46)38-14-4-3-5-15-38;1-59(2)54-29-13-12-27-50(54)57(49-26-11-10-24-46(49)47-25-14-22-40-23-15-28-52(57)56(40)47)51-33-32-45(37-55(51)59)58(44-31-30-38-16-6-7-19-41(38)34-44)53-36-43-21-9-8-20-42(43)35-48(53)39-17-4-3-5-18-39;1-55(2)50-32-12-11-29-46(50)53(45-28-10-9-23-42(45)44-27-13-19-37-20-14-30-48(53)52(37)44)47-34-33-39(35-51(47)55)54(38-21-7-4-8-22-38)49-31-16-25-41-40(24-15-26-43(41)49)36-17-5-3-6-18-36;1-55(2)49-30-14-13-28-46(49)53(45-27-12-11-25-43(45)44-26-15-20-38-21-16-29-48(53)51(38)44)47-34-32-40(35-50(47)55)54(39-22-7-4-8-23-39)52-41-24-10-9-19-37(41)31-33-42(52)36-17-5-3-6-18-36/h2*3-37H,1-2H3;2*3-35H,1-2H3
InChIKeyXZVHQKSYKCBZMY-UHFFFAOYSA-N
MW2972.07 g/mol
LogP52.82
Rot. Bonds16

About 5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine

5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine (PubChem CID 165099013) has the molecular formula C220H160N4Si4 and a molecular weight of 2972.07 g/mol. Its IUPAC name is 5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine.

Molecular Properties

Compound Name5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine
PubChem CID165099013
Molecular FormulaC220H160N4Si4
Molecular Weight2972.07 g/mol
Exact Mass2969.17
IUPAC Name5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine
SMILESC[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4ccccc4c3)c3cc4ccccc4cc3-c3ccccc3)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4ccccc4c3)c3ccc4cc(-c5ccccc5)ccc4c3)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccccc3)c3c(-c4ccccc4)ccc4ccccc34)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccccc3)c3cccc4c(-c5ccccc5)cccc34)cc21
InChIInChI=1S/2C57H41NSi.2C53H39NSi/c1-59(2)54-25-11-10-23-51(54)57(50-22-9-8-20-48(50)49-21-12-18-40-19-13-24-53(57)56(40)49)52-33-32-47(37-55(52)59)58(45-30-28-39-16-6-7-17-41(39)35-45)46-31-29-43-34-42(26-27-44(43)36-46)38-14-4-3-5-15-38;1-59(2)54-29-13-12-27-50(54)57(49-26-11-10-24-46(49)47-25-14-22-40-23-15-28-52(57)56(40)47)51-33-32-45(37-55(51)59)58(44-31-30-38-16-6-7-19-41(38)34-44)53-36-43-21-9-8-20-42(43)35-48(53)39-17-4-3-5-18-39;1-55(2)50-32-12-11-29-46(50)53(45-28-10-9-23-42(45)44-27-13-19-37-20-14-30-48(53)52(37)44)47-34-33-39(35-51(47)55)54(38-21-7-4-8-22-38)49-31-16-25-41-40(24-15-26-43(41)49)36-17-5-3-6-18-36;1-55(2)49-30-14-13-28-46(49)53(45-27-12-11-25-43(45)44-26-15-20-38-21-16-29-48(53)51(38)44)47-34-32-40(35-50(47)55)54(39-22-7-4-8-23-39)52-41-24-10-9-19-37(41)31-33-42(52)36-17-5-3-6-18-36/h2*3-37H,1-2H3;2*3-35H,1-2H3
InChIKeyXZVHQKSYKCBZMY-UHFFFAOYSA-N
XLogP52.82
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms228
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002972.07
LogP ≤ 552.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine?
The IUPAC name of 5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine (CID 165099013) is 5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine.
What is the SMILES notation for 5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine?
The canonical SMILES for 5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine is C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4ccccc4c3)c3cc4ccccc4cc3-c3ccccc3)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccc4ccccc4c3)c3ccc4cc(-c5ccccc5)ccc4c3)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccccc3)c3c(-c4ccccc4)ccc4ccccc34)cc21.C[Si]1(C)c2ccccc2C2(c3ccccc3-c3cccc4cccc2c34)c2ccc(N(c3ccccc3)c3cccc4c(-c5ccccc5)cccc34)cc21.
What is the InChIKey of 5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine?
The InChIKey is XZVHQKSYKCBZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H41NSi.2C53H39NSi/c1-59(2)54-25-11-10-23-51(54)57(50-22-9-8-20-48(50)49-21-12-18-40-19-13-24-53(57)56(40)49)52-33-32-47(37-55(52)59)58(45-30-28-39-16-6-7-17-41(39)35-45)46-31-29-43-34-42(26-27-44(43)36-46)38-14-4-3-5-15-38;1-59(2)54-29-13-12-27-50(54)57(49-26-11-10-24-46(49)47-25-14-22-40-23-15-28-52(57)56(40)47)51-33-32-45(37-55(51)59)58(44-31-30-38-16-6-7-19-41(38)34-44)53-36-43-21-9-8-20-42(43)35-48(53)39-17-4-3-5-18-39;1-55(2)50-32-12-11-29-46(50)53(45-28-10-9-23-42(45)44-27-13-19-37-20-14-30-48(53)52(37)44)47-34-33-39(35-51(47)55)54(38-21-7-4-8-22-38)49-31-16-25-41-40(24-15-26-43(41)49)36-17-5-3-6-18-36;1-55(2)49-30-14-13-28-46(49)53(45-27-12-11-25-43(45)44-26-15-20-38-21-16-29-48(53)51(38)44)47-34-32-40(35-50(47)55)54(39-22-7-4-8-23-39)52-41-24-10-9-19-37(41)31-33-42(52)36-17-5-3-6-18-36/h2*3-37H,1-2H3;2*3-35H,1-2H3.
What are the key properties of 5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine?
5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine has a molecular weight of 2972.07 g/mol, XLogP of 52.82, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5',5'-dimethyl-N-naphthalen-2-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine;5',5'-dimethyl-N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-amine is sourced from PubChem (CID 165099013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).