8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine

C98H58N2O3S2 — CID 170235198

IUPAC8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
SMILESc1ccc(C2(c3cccc(N(c4ccc5c(c4)oc4cc6c(cc45)oc4cc5c(cc46)oc4cc(N(c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c6cccc7c6sc6ccccc67)ccc45)c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C98H58N2O3S2/c1-3-23-59(24-4-1)97(81-39-13-7-31-67(81)68-32-8-14-40-82(68)97)61-27-19-29-63(51-61)99(85-43-21-37-75-73-35-11-17-45-93(73)104-95(75)85)65-47-49-71-77-55-91-79(57-89(77)101-87(71)53-65)80-58-90-78(56-92(80)103-91)72-50-48-66(54-88(72)102-90)100(86-44-22-38-76-74-36-12-18-46-94(74)105-96(76)86)64-30-20-28-62(52-64)98(60-25-5-2-6-26-60)83-41-15-9-33-69(83)70-34-10-16-42-84(70)98/h1-58H
InChIKeyASUTUQLWYAOJTM-UHFFFAOYSA-N
MW1375.69 g/mol
LogP27.79
Rot. Bonds10

About 8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine

8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine (PubChem CID 170235198) has the molecular formula C98H58N2O3S2 and a molecular weight of 1375.69 g/mol. Its IUPAC name is 8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine.

Molecular Properties

Compound Name8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
PubChem CID170235198
Molecular FormulaC98H58N2O3S2
Molecular Weight1375.69 g/mol
Exact Mass1374.39
IUPAC Name8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
SMILESc1ccc(C2(c3cccc(N(c4ccc5c(c4)oc4cc6c(cc45)oc4cc5c(cc46)oc4cc(N(c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c6cccc7c6sc6ccccc67)ccc45)c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C98H58N2O3S2/c1-3-23-59(24-4-1)97(81-39-13-7-31-67(81)68-32-8-14-40-82(68)97)61-27-19-29-63(51-61)99(85-43-21-37-75-73-35-11-17-45-93(73)104-95(75)85)65-47-49-71-77-55-91-79(57-89(77)101-87(71)53-65)80-58-90-78(56-92(80)103-91)72-50-48-66(54-88(72)102-90)100(86-44-22-38-76-74-36-12-18-46-94(74)105-96(76)86)64-30-20-28-62(52-64)98(60-25-5-2-6-26-60)83-41-15-9-33-69(83)70-34-10-16-42-84(70)98/h1-58H
InChIKeyASUTUQLWYAOJTM-UHFFFAOYSA-N
XLogP27.79
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001375.69
LogP ≤ 527.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-4-amine
CID 121424914
N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169021968
N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022341
N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 163533094
N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine
CID 169022269
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine
CID 163626827
N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine
CID 176759746
N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine
CID 135195862
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 158701835
N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 163497598

Frequently Asked Questions

What is the IUPAC name of 8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?
The IUPAC name of 8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine (CID 170235198) is 8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine.
What is the SMILES notation for 8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?
The canonical SMILES for 8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine is c1ccc(C2(c3cccc(N(c4ccc5c(c4)oc4cc6c(cc45)oc4cc5c(cc46)oc4cc(N(c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c6cccc7c6sc6ccccc67)ccc45)c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?
The InChIKey is ASUTUQLWYAOJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H58N2O3S2/c1-3-23-59(24-4-1)97(81-39-13-7-31-67(81)68-32-8-14-40-82(68)97)61-27-19-29-63(51-61)99(85-43-21-37-75-73-35-11-17-45-93(73)104-95(75)85)65-47-49-71-77-55-91-79(57-89(77)101-87(71)53-65)80-58-90-78(56-92(80)103-91)72-50-48-66(54-88(72)102-90)100(86-44-22-38-76-74-36-12-18-46-94(74)105-96(76)86)64-30-20-28-62(52-64)98(60-25-5-2-6-26-60)83-41-15-9-33-69(83)70-34-10-16-42-84(70)98/h1-58H.
What are the key properties of 8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?
8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine has a molecular weight of 1375.69 g/mol, XLogP of 27.79, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine is sourced from PubChem (CID 170235198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).