8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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

C98H58N2OS4 — CID 170235118

IUPAC8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c(c4)sc4cc6c(cc45)oc4cc5c(cc46)sc4cc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7c(c6)sc6ccccc67)ccc45)cc32)cc1
InChIInChI=1S/C98H58N2OS4/c1-5-21-59(22-6-1)97(60-23-7-2-8-24-60)83-33-17-13-29-69(83)71-43-37-63(49-85(71)97)99(65-39-45-75-73-31-15-19-35-89(73)102-91(75)51-65)67-41-47-77-81-55-87-79(57-95(81)104-93(77)53-67)80-58-96-82(56-88(80)101-87)78-48-42-68(54-94(78)105-96)100(66-40-46-76-74-32-16-20-36-90(74)103-92(76)52-66)64-38-44-72-70-30-14-18-34-84(70)98(86(72)50-64,61-25-9-3-10-26-61)62-27-11-4-12-28-62/h1-58H
InChIKeyJVLUAPAMERIWLR-UHFFFAOYSA-N
MW1407.82 g/mol
LogP28.72
Rot. Bonds10

About 8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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 170235118) has the molecular formula C98H58N2OS4 and a molecular weight of 1407.82 g/mol. Its IUPAC name is 8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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 CID170235118
Molecular FormulaC98H58N2OS4
Molecular Weight1407.82 g/mol
Exact Mass1406.34
IUPAC Name8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c(c4)sc4cc6c(cc45)oc4cc5c(cc46)sc4cc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7c(c6)sc6ccccc67)ccc45)cc32)cc1
InChIInChI=1S/C98H58N2OS4/c1-5-21-59(22-6-1)97(60-23-7-2-8-24-60)83-33-17-13-29-69(83)71-43-37-63(49-85(71)97)99(65-39-45-75-73-31-15-19-35-89(73)102-91(75)51-65)67-41-47-77-81-55-87-79(57-95(81)104-93(77)53-67)80-58-96-82(56-88(80)101-87)78-48-42-68(54-94(78)105-96)100(66-40-46-76-74-32-16-20-36-90(74)103-92(76)52-66)64-38-44-72-70-30-14-18-34-84(70)98(86(72)50-64,61-25-9-3-10-26-61)62-27-11-4-12-28-62/h1-58H
InChIKeyJVLUAPAMERIWLR-UHFFFAOYSA-N
XLogP28.72
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001407.82
LogP ≤ 528.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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

9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine
CID 157052053
9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
N-[4-(4-phenylphenyl)phenyl]-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]dibenzofuran-3-amine;7-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]dibenzothiophen-3-amine;9-phenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 163854265
N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9-diphenylfluoren-2-amine;N,N-bis(2-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 160626723
N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine
CID 157296303
N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine
CID 140919886
N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 166012362
N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-3-amine
CID 165158322
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 163987640

Frequently Asked Questions

What is the IUPAC name of 8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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 170235118) is 8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c(c4)sc4cc6c(cc45)oc4cc5c(cc46)sc4cc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7c(c6)sc6ccccc67)ccc45)cc32)cc1.
What is the InChIKey of 8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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 JVLUAPAMERIWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H58N2OS4/c1-5-21-59(22-6-1)97(60-23-7-2-8-24-60)83-33-17-13-29-69(83)71-43-37-63(49-85(71)97)99(65-39-45-75-73-31-15-19-35-89(73)102-91(75)51-65)67-41-47-77-81-55-87-79(57-95(81)104-93(77)53-67)80-58-96-82(56-88(80)101-87)78-48-42-68(54-94(78)105-96)100(66-40-46-76-74-32-16-20-36-90(74)103-92(76)52-66)64-38-44-72-70-30-14-18-34-84(70)98(86(72)50-64,61-25-9-3-10-26-61)62-27-11-4-12-28-62/h1-58H.
What are the key properties of 8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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 1407.82 g/mol, XLogP of 28.72, 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-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[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 170235118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).