N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine

C192H113N3O3S6 — CID 163475552

IUPACN,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine
SMILESc1ccc(-c2cc3ccccc3c3c2sc2c(-c4ccc(N(c5ccc(-c6cccc7c6sc6c(-c8ccccc8)cc8ccccc8c67)cc5)c5cc6ccccc6c6c5oc5ccccc56)cc4)cccc23)cc1.c1ccc2c(c1)cc(N(c1ccc(-c3cc4ccccc4c4c3sc3ccccc34)cc1)c1ccc(-c3cc4ccccc4c4c3sc3ccccc34)cc1)c1oc3ccccc3c12.c1ccc2c(c1)ccc1oc3c(N(c4ccc(-c5cccc6c5sc5ccc7ccccc7c56)cc4)c4ccc(-c5cccc6c5sc5ccc7ccccc7c56)cc4)cccc3c12
InChIInChI=1S/C72H43NOS2.2C60H35NOS2/c1-3-17-44(18-4-1)61-41-48-21-7-11-25-54(48)66-59-30-15-28-56(69(59)75-71(61)66)46-33-37-51(38-34-46)73(63-43-50-23-9-10-24-53(50)65-58-27-13-14-32-64(58)74-68(63)65)52-39-35-47(36-40-52)57-29-16-31-60-67-55-26-12-8-22-49(55)42-62(72(67)76-70(57)60)45-19-5-2-6-20-45;1-5-17-44-38(13-1)33-49(59-56(44)47-20-8-11-23-53(47)63-59)36-25-29-41(30-26-36)61(51-35-40-15-3-4-16-43(40)55-46-19-7-10-22-52(46)62-58(51)55)42-31-27-37(28-32-42)50-34-39-14-2-6-18-45(39)57-48-21-9-12-24-54(48)64-60(50)57;1-4-13-43-36(10-1)26-33-52-55(43)48-18-9-21-51(58(48)62-52)61(41-29-22-39(23-30-41)46-16-7-19-49-56-44-14-5-2-11-37(44)27-34-53(56)63-59(46)49)42-31-24-40(25-32-42)47-17-8-20-50-57-45-15-6-3-12-38(45)28-35-54(57)64-60(47)50/h1-43H;2*1-35H
InChIKeyCABUFUXVMAYWQB-UHFFFAOYSA-N
MW2702.44 g/mol
LogP59.09
Rot. Bonds17

About N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine

N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine (PubChem CID 163475552) has the molecular formula C192H113N3O3S6 and a molecular weight of 2702.44 g/mol. Its IUPAC name is N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine
PubChem CID163475552
Molecular FormulaC192H113N3O3S6
Molecular Weight2702.44 g/mol
Exact Mass2699.71
IUPAC NameN,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine
SMILESc1ccc(-c2cc3ccccc3c3c2sc2c(-c4ccc(N(c5ccc(-c6cccc7c6sc6c(-c8ccccc8)cc8ccccc8c67)cc5)c5cc6ccccc6c6c5oc5ccccc56)cc4)cccc23)cc1.c1ccc2c(c1)cc(N(c1ccc(-c3cc4ccccc4c4c3sc3ccccc34)cc1)c1ccc(-c3cc4ccccc4c4c3sc3ccccc34)cc1)c1oc3ccccc3c12.c1ccc2c(c1)ccc1oc3c(N(c4ccc(-c5cccc6c5sc5ccc7ccccc7c56)cc4)c4ccc(-c5cccc6c5sc5ccc7ccccc7c56)cc4)cccc3c12
InChIInChI=1S/C72H43NOS2.2C60H35NOS2/c1-3-17-44(18-4-1)61-41-48-21-7-11-25-54(48)66-59-30-15-28-56(69(59)75-71(61)66)46-33-37-51(38-34-46)73(63-43-50-23-9-10-24-53(50)65-58-27-13-14-32-64(58)74-68(63)65)52-39-35-47(36-40-52)57-29-16-31-60-67-55-26-12-8-22-49(55)42-62(72(67)76-70(57)60)45-19-5-2-6-20-45;1-5-17-44-38(13-1)33-49(59-56(44)47-20-8-11-23-53(47)63-59)36-25-29-41(30-26-36)61(51-35-40-15-3-4-16-43(40)55-46-19-7-10-22-52(46)62-58(51)55)42-31-27-37(28-32-42)50-34-39-14-2-6-18-45(39)57-48-21-9-12-24-54(48)64-60(50)57;1-4-13-43-36(10-1)26-33-52-55(43)48-18-9-21-51(58(48)62-52)61(41-29-22-39(23-30-41)46-16-7-19-49-56-44-14-5-2-11-37(44)27-34-53(56)63-59(46)49)42-31-24-40(25-32-42)47-17-8-20-50-57-45-15-6-3-12-38(45)28-35-54(57)64-60(47)50/h1-43H;2*1-35H
InChIKeyCABUFUXVMAYWQB-UHFFFAOYSA-N
XLogP59.09
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002702.44
LogP ≤ 559.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine with MolForge

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Related Compounds

N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289753
N-(4-dibenzothiophen-4-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine
CID 168809658
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-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-4-amine
CID 170040287
ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene
CID 159785263
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-2-phenylaniline
CID 170040606
N-(4-dibenzothiophen-4-ylphenyl)-N-phenanthren-3-yl-1-phenyldibenzofuran-4-amine
CID 168809995
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-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(6-phenyldibenzothiophen-1-yl)phenyl]phenanthren-1-amine
CID 176821044
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171435269
N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 167132636
N-(4-dibenzothiophen-4-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167329482

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine?
The IUPAC name of N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine (CID 163475552) is N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine.
What is the SMILES notation for N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine?
The canonical SMILES for N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine is c1ccc(-c2cc3ccccc3c3c2sc2c(-c4ccc(N(c5ccc(-c6cccc7c6sc6c(-c8ccccc8)cc8ccccc8c67)cc5)c5cc6ccccc6c6c5oc5ccccc56)cc4)cccc23)cc1.c1ccc2c(c1)cc(N(c1ccc(-c3cc4ccccc4c4c3sc3ccccc34)cc1)c1ccc(-c3cc4ccccc4c4c3sc3ccccc34)cc1)c1oc3ccccc3c12.c1ccc2c(c1)ccc1oc3c(N(c4ccc(-c5cccc6c5sc5ccc7ccccc7c56)cc4)c4ccc(-c5cccc6c5sc5ccc7ccccc7c56)cc4)cccc3c12.
What is the InChIKey of N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine?
The InChIKey is CABUFUXVMAYWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H43NOS2.2C60H35NOS2/c1-3-17-44(18-4-1)61-41-48-21-7-11-25-54(48)66-59-30-15-28-56(69(59)75-71(61)66)46-33-37-51(38-34-46)73(63-43-50-23-9-10-24-53(50)65-58-27-13-14-32-64(58)74-68(63)65)52-39-35-47(36-40-52)57-29-16-31-60-67-55-26-12-8-22-49(55)42-62(72(67)76-70(57)60)45-19-5-2-6-20-45;1-5-17-44-38(13-1)33-49(59-56(44)47-20-8-11-23-53(47)63-59)36-25-29-41(30-26-36)61(51-35-40-15-3-4-16-43(40)55-46-19-7-10-22-52(46)62-58(51)55)42-31-27-37(28-32-42)50-34-39-14-2-6-18-45(39)57-48-21-9-12-24-54(48)64-60(50)57;1-4-13-43-36(10-1)26-33-52-55(43)48-18-9-21-51(58(48)62-52)61(41-29-22-39(23-30-41)46-16-7-19-49-56-44-14-5-2-11-37(44)27-34-53(56)63-59(46)49)42-31-24-40(25-32-42)47-17-8-20-50-57-45-15-6-3-12-38(45)28-35-54(57)64-60(47)50/h1-43H;2*1-35H.
What are the key properties of N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine?
N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine has a molecular weight of 2702.44 g/mol, XLogP of 59.09, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine is sourced from PubChem (CID 163475552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).