1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine

C204H124N6O6 — CID 157353802

IUPAC1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine
SMILESc1ccc(-c2cc3ccccc3c3c2oc2c(N(c4ccccc4)c4ccc5ccc6c(N(c7ccccc7)c7cccc8c7oc7c(-c9ccccc9)cc9ccccc9c78)ccc7ccc4c5c76)cccc23)cc1.c1ccc(-c2cc3ccccc3c3c2oc2cccc(N(c4ccccc4)c4ccc5ccc6c(N(c7ccccc7)c7cccc8oc9c(-c%10ccccc%10)cc%10ccccc%10c9c78)ccc7ccc4c5c76)c23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cc6ccccc6c6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccc4ccccc4c23)cc1
InChIInChI=1S/2C72H44N2O2.C60H36N2O2/c1-5-19-45(20-6-1)57-43-49-23-13-15-29-53(49)67-69-61(31-17-33-63(69)75-71(57)67)73(51-25-9-3-10-26-51)59-41-37-47-36-40-56-60(42-38-48-35-39-55(59)65(47)66(48)56)74(52-27-11-4-12-28-52)62-32-18-34-64-70(62)68-54-30-16-14-24-50(54)44-58(72(68)76-64)46-21-7-2-8-22-46;1-5-19-45(20-6-1)59-43-49-23-13-15-29-53(49)67-57-31-17-33-63(69(57)75-71(59)67)73(51-25-9-3-10-26-51)61-41-37-47-36-40-56-62(42-38-48-35-39-55(61)65(47)66(48)56)74(52-27-11-4-12-28-52)64-34-18-32-58-68-54-30-16-14-24-50(54)44-60(72(68)76-70(58)64)46-21-7-2-8-22-46;1-3-16-41(17-4-1)61(51-24-13-23-48-57-43-20-9-7-14-37(43)30-35-54(57)64-59(48)51)49-33-28-38-27-32-46-50(34-29-39-26-31-45(49)55(38)56(39)46)62(42-18-5-2-6-19-42)52-36-40-15-8-10-21-44(40)58-47-22-11-12-25-53(47)63-60(52)58/h2*1-44H;1-36H
InChIKeyBHVMPBLZIRZJJS-UHFFFAOYSA-N
MW2755.27 g/mol
LogP59.55
Rot. Bonds22

About 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine

1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine (PubChem CID 157353802) has the molecular formula C204H124N6O6 and a molecular weight of 2755.27 g/mol. Its IUPAC name is 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine
PubChem CID157353802
Molecular FormulaC204H124N6O6
Molecular Weight2755.27 g/mol
Exact Mass2752.96
IUPAC Name1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine
SMILESc1ccc(-c2cc3ccccc3c3c2oc2c(N(c4ccccc4)c4ccc5ccc6c(N(c7ccccc7)c7cccc8c7oc7c(-c9ccccc9)cc9ccccc9c78)ccc7ccc4c5c76)cccc23)cc1.c1ccc(-c2cc3ccccc3c3c2oc2cccc(N(c4ccccc4)c4ccc5ccc6c(N(c7ccccc7)c7cccc8oc9c(-c%10ccccc%10)cc%10ccccc%10c9c78)ccc7ccc4c5c76)c23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cc6ccccc6c6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccc4ccccc4c23)cc1
InChIInChI=1S/2C72H44N2O2.C60H36N2O2/c1-5-19-45(20-6-1)57-43-49-23-13-15-29-53(49)67-69-61(31-17-33-63(69)75-71(57)67)73(51-25-9-3-10-26-51)59-41-37-47-36-40-56-60(42-38-48-35-39-55(59)65(47)66(48)56)74(52-27-11-4-12-28-52)62-32-18-34-64-70(62)68-54-30-16-14-24-50(54)44-58(72(68)76-64)46-21-7-2-8-22-46;1-5-19-45(20-6-1)59-43-49-23-13-15-29-53(49)67-57-31-17-33-63(69(57)75-71(59)67)73(51-25-9-3-10-26-51)61-41-37-47-36-40-56-62(42-38-48-35-39-55(61)65(47)66(48)56)74(52-27-11-4-12-28-52)64-34-18-32-58-68-54-30-16-14-24-50(54)44-60(72(68)76-70(58)64)46-21-7-2-8-22-46;1-3-16-41(17-4-1)61(51-24-13-23-48-57-43-20-9-7-14-37(43)30-35-54(57)64-59(48)51)49-33-28-38-27-32-46-50(34-29-39-26-31-45(49)55(38)56(39)46)62(42-18-5-2-6-19-42)52-36-40-15-8-10-21-44(40)58-47-22-11-12-25-53(47)63-60(52)58/h2*1-44H;1-36H
InChIKeyBHVMPBLZIRZJJS-UHFFFAOYSA-N
XLogP59.55
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002755.27
LogP ≤ 559.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine;N-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 161292494
N-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176844230
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N-(4-dibenzofuran-4-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N-naphtho[2,1-b][1]benzofuran-6-yl-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine;N-naphtho[2,1-b][1]benzofuran-8-yl-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 159423427
N-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 176844569
1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyrene-1,6-diamine
CID 157384070
N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289739
6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 170030751
6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290539
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167183316
N-dibenzofuran-4-yl-N,1-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 177131148
N-phenanthren-2-yl-N-phenanthren-4-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821172

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine (CID 157353802) is 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine is c1ccc(-c2cc3ccccc3c3c2oc2c(N(c4ccccc4)c4ccc5ccc6c(N(c7ccccc7)c7cccc8c7oc7c(-c9ccccc9)cc9ccccc9c78)ccc7ccc4c5c76)cccc23)cc1.c1ccc(-c2cc3ccccc3c3c2oc2cccc(N(c4ccccc4)c4ccc5ccc6c(N(c7ccccc7)c7cccc8oc9c(-c%10ccccc%10)cc%10ccccc%10c9c78)ccc7ccc4c5c76)c23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cc6ccccc6c6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccc4ccccc4c23)cc1.
What is the InChIKey of 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine?
The InChIKey is BHVMPBLZIRZJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C72H44N2O2.C60H36N2O2/c1-5-19-45(20-6-1)57-43-49-23-13-15-29-53(49)67-69-61(31-17-33-63(69)75-71(57)67)73(51-25-9-3-10-26-51)59-41-37-47-36-40-56-60(42-38-48-35-39-55(59)65(47)66(48)56)74(52-27-11-4-12-28-52)62-32-18-34-64-70(62)68-54-30-16-14-24-50(54)44-58(72(68)76-64)46-21-7-2-8-22-46;1-5-19-45(20-6-1)59-43-49-23-13-15-29-53(49)67-57-31-17-33-63(69(57)75-71(59)67)73(51-25-9-3-10-26-51)61-41-37-47-36-40-56-62(42-38-48-35-39-55(61)65(47)66(48)56)74(52-27-11-4-12-28-52)64-34-18-32-58-68-54-30-16-14-24-50(54)44-60(72(68)76-70(58)64)46-21-7-2-8-22-46;1-3-16-41(17-4-1)61(51-24-13-23-48-57-43-20-9-7-14-37(43)30-35-54(57)64-59(48)51)49-33-28-38-27-32-46-50(34-29-39-26-31-45(49)55(38)56(39)46)62(42-18-5-2-6-19-42)52-36-40-15-8-10-21-44(40)58-47-22-11-12-25-53(47)63-60(52)58/h2*1-44H;1-36H.
What are the key properties of 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine?
1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine has a molecular weight of 2755.27 g/mol, XLogP of 59.55, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-11-yl)pyrene-1,6-diamine;1-N-naphtho[2,1-b][1]benzofuran-6-yl-6-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine is sourced from PubChem (CID 157353802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).