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

C236H156N6O6 — CID 157384070

IUPAC1-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
SMILESCC(C)(C)c1cccc(N(c2ccc3ccc4c(N(c5cccc(C(C)(C)C)c5)c5cccc6c5oc5c(-c7ccccc7)cc7ccccc7c56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4)cc4ccccc4c23)c1.c1ccc(-c2cc3ccccc3c3c2oc2cc(N(c4ccccc4)c4ccc5ccc6c(N(c7ccccc7)c7ccc8c(c7)oc7c(-c9ccccc9)cc9ccccc9c78)ccc7ccc4c5c76)ccc23)cc1.c1ccc(-c2ccc(N(c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(-c8ccccc8)cc8ccccc8c67)ccc6ccc3c4c65)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc2)cc1
InChIInChI=1S/C84H52N2O2.C80H60N2O2.C72H44N2O2/c1-5-19-53(20-6-1)55-35-43-63(44-36-55)85(75-33-17-31-69-79-65-29-15-13-27-61(65)51-71(83(79)87-81(69)75)57-23-9-3-10-24-57)73-49-41-59-40-48-68-74(50-42-60-39-47-67(73)77(59)78(60)68)86(64-45-37-56(38-46-64)54-21-7-2-8-22-54)76-34-18-32-70-80-66-30-16-14-28-62(66)52-72(84(80)88-82(70)76)58-25-11-4-12-26-58;1-79(2,3)55-27-17-29-57(47-55)81(69-35-19-33-63-73-59-31-15-13-25-53(59)45-65(77(73)83-75(63)69)49-21-9-7-10-22-49)67-43-39-51-38-42-62-68(44-40-52-37-41-61(67)71(51)72(52)62)82(58-30-18-28-56(48-58)80(4,5)6)70-36-20-34-64-74-60-32-16-14-26-54(60)46-66(78(74)84-76(64)70)50-23-11-8-12-24-50;1-5-17-45(18-6-1)61-41-49-21-13-15-27-55(49)69-59-37-33-53(43-65(59)75-71(61)69)73(51-23-9-3-10-24-51)63-39-31-47-30-36-58-64(40-32-48-29-35-57(63)67(47)68(48)58)74(52-25-11-4-12-26-52)54-34-38-60-66(44-54)76-72-62(46-19-7-2-8-20-46)42-50-22-14-16-28-56(50)70(60)72/h1-52H;7-48H,1-6H3;1-44H
InChIKeyBLFJHMHLXNWODT-UHFFFAOYSA-N
MW3171.88 g/mol
LogP68.82
Rot. Bonds26

About 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

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 (PubChem CID 157384070) has the molecular formula C236H156N6O6 and a molecular weight of 3171.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID157384070
Molecular FormulaC236H156N6O6
Molecular Weight3171.88 g/mol
Exact Mass3169.21
IUPAC Name1-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
SMILESCC(C)(C)c1cccc(N(c2ccc3ccc4c(N(c5cccc(C(C)(C)C)c5)c5cccc6c5oc5c(-c7ccccc7)cc7ccccc7c56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4)cc4ccccc4c23)c1.c1ccc(-c2cc3ccccc3c3c2oc2cc(N(c4ccccc4)c4ccc5ccc6c(N(c7ccccc7)c7ccc8c(c7)oc7c(-c9ccccc9)cc9ccccc9c78)ccc7ccc4c5c76)ccc23)cc1.c1ccc(-c2ccc(N(c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(-c8ccccc8)cc8ccccc8c67)ccc6ccc3c4c65)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc2)cc1
InChIInChI=1S/C84H52N2O2.C80H60N2O2.C72H44N2O2/c1-5-19-53(20-6-1)55-35-43-63(44-36-55)85(75-33-17-31-69-79-65-29-15-13-27-61(65)51-71(83(79)87-81(69)75)57-23-9-3-10-24-57)73-49-41-59-40-48-68-74(50-42-60-39-47-67(73)77(59)78(60)68)86(64-45-37-56(38-46-64)54-21-7-2-8-22-54)76-34-18-32-70-80-66-30-16-14-28-62(66)52-72(84(80)88-82(70)76)58-25-11-4-12-26-58;1-79(2,3)55-27-17-29-57(47-55)81(69-35-19-33-63-73-59-31-15-13-25-53(59)45-65(77(73)83-75(63)69)49-21-9-7-10-22-49)67-43-39-51-38-42-62-68(44-40-52-37-41-61(67)71(51)72(52)62)82(58-30-18-28-56(48-58)80(4,5)6)70-36-20-34-64-74-60-32-16-14-26-54(60)46-66(78(74)84-76(64)70)50-23-11-8-12-24-50;1-5-17-45(18-6-1)61-41-49-21-13-15-27-55(49)69-59-37-33-53(43-65(59)75-71(61)69)73(51-23-9-3-10-24-51)63-39-31-47-30-36-58-64(40-32-48-29-35-57(63)67(47)68(48)58)74(52-25-11-4-12-26-52)54-34-38-60-66(44-54)76-72-62(46-19-7-2-8-20-46)42-50-22-14-16-28-56(50)70(60)72/h1-52H;7-48H,1-6H3;1-44H
InChIKeyBLFJHMHLXNWODT-UHFFFAOYSA-N
XLogP68.82
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003171.88
LogP ≤ 568.82
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-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 with MolForge

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Related Compounds

6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
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
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,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844541
6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290545
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864
6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290660
N,N,6-triphenylnaphtho[2,1-b][1]benzofuran-9-amine
CID 176844324
N-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176844230
12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 126550533
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167143783
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cccc(N(c2ccc3ccc4c(N(c5cccc(C(C)(C)C)c5)c5cccc6c5oc5c(-c7ccccc7)cc7ccccc7c56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4)cc4ccccc4c23)c1.c1ccc(-c2cc3ccccc3c3c2oc2cc(N(c4ccccc4)c4ccc5ccc6c(N(c7ccccc7)c7ccc8c(c7)oc7c(-c9ccccc9)cc9ccccc9c78)ccc7ccc4c5c76)ccc23)cc1.c1ccc(-c2ccc(N(c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(-c8ccccc8)cc8ccccc8c67)ccc6ccc3c4c65)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is BLFJHMHLXNWODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H52N2O2.C80H60N2O2.C72H44N2O2/c1-5-19-53(20-6-1)55-35-43-63(44-36-55)85(75-33-17-31-69-79-65-29-15-13-27-61(65)51-71(83(79)87-81(69)75)57-23-9-3-10-24-57)73-49-41-59-40-48-68-74(50-42-60-39-47-67(73)77(59)78(60)68)86(64-45-37-56(38-46-64)54-21-7-2-8-22-54)76-34-18-32-70-80-66-30-16-14-28-62(66)52-72(84(80)88-82(70)76)58-25-11-4-12-26-58;1-79(2,3)55-27-17-29-57(47-55)81(69-35-19-33-63-73-59-31-15-13-25-53(59)45-65(77(73)83-75(63)69)49-21-9-7-10-22-49)67-43-39-51-38-42-62-68(44-40-52-37-41-61(67)71(51)72(52)62)82(58-30-18-28-56(48-58)80(4,5)6)70-36-20-34-64-74-60-32-16-14-26-54(60)46-66(78(74)84-76(64)70)50-23-11-8-12-24-50;1-5-17-45(18-6-1)61-41-49-21-13-15-27-55(49)69-59-37-33-53(43-65(59)75-71(61)69)73(51-23-9-3-10-24-51)63-39-31-47-30-36-58-64(40-32-48-29-35-57(63)67(47)68(48)58)74(52-25-11-4-12-26-52)54-34-38-60-66(44-54)76-72-62(46-19-7-2-8-20-46)42-50-22-14-16-28-56(50)70(60)72/h1-52H;7-48H,1-6H3;1-44H.
What are the key properties of 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?
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 has a molecular weight of 3171.88 g/mol, XLogP of 68.82, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157384070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).