7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine

C80H48N6O2S2 — CID 162483420

IUPAC7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine
SMILESc1ccc2sc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5c(c4)oc4cc6c(cc45)oc4cc(N(c5ccc(-c7nc8ccccc8s7)cc5)c5ccc(-n7c8ccccc8c8ccccc87)cc5)ccc46)cc3)nc2c1
InChIInChI=1S/C80H48N6O2S2/c1-7-19-69-59(13-1)60-14-2-8-20-70(60)85(69)55-37-33-53(34-38-55)83(51-29-25-49(26-30-51)79-81-67-17-5-11-23-77(67)89-79)57-41-43-63-65-47-76-66(48-75(65)87-73(63)45-57)64-44-42-58(46-74(64)88-76)84(52-31-27-50(28-32-52)80-82-68-18-6-12-24-78(68)90-80)54-35-39-56(40-36-54)86-71-21-9-3-15-61(71)62-16-4-10-22-72(62)86/h1-48H
InChIKeyKFJZCAUEYWBZIT-UHFFFAOYSA-N
MW1189.44 g/mol
LogP23.17
Rot. Bonds10

About 7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine

7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine (PubChem CID 162483420) has the molecular formula C80H48N6O2S2 and a molecular weight of 1189.44 g/mol. Its IUPAC name is 7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine.

Molecular Properties

Compound Name7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine
PubChem CID162483420
Molecular FormulaC80H48N6O2S2
Molecular Weight1189.44 g/mol
Exact Mass1188.33
IUPAC Name7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine
SMILESc1ccc2sc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5c(c4)oc4cc6c(cc45)oc4cc(N(c5ccc(-c7nc8ccccc8s7)cc5)c5ccc(-n7c8ccccc8c8ccccc87)cc5)ccc46)cc3)nc2c1
InChIInChI=1S/C80H48N6O2S2/c1-7-19-69-59(13-1)60-14-2-8-20-70(60)85(69)55-37-33-53(34-38-55)83(51-29-25-49(26-30-51)79-81-67-17-5-11-23-77(67)89-79)57-41-43-63-65-47-76-66(48-75(65)87-73(63)45-57)64-44-42-58(46-74(64)88-76)84(52-31-27-50(28-32-52)80-82-68-18-6-12-24-78(68)90-80)54-35-39-56(40-36-54)86-71-21-9-3-15-61(71)62-16-4-10-22-72(62)86/h1-48H
InChIKeyKFJZCAUEYWBZIT-UHFFFAOYSA-N
XLogP23.17
TPSA68.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001189.44
LogP ≤ 523.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine with MolForge

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Related Compounds

9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 126585577
7-N,17-N-di(anthracen-2-yl)-7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine
CID 162483398
7-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-N-(9-phenylcarbazol-3-yl)-2-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 170267406
7-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-N,7-N-bis(4-fluorophenyl)-2-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine
CID 170266724
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 174294964
N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine
CID 167129643
1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine
CID 88590509
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine
CID 174294716
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 147244332
N,9-diphenyl-N-(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),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167127385

Frequently Asked Questions

What is the IUPAC name of 7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine?
The IUPAC name of 7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine (CID 162483420) is 7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine.
What is the SMILES notation for 7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine?
The canonical SMILES for 7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine is c1ccc2sc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5c(c4)oc4cc6c(cc45)oc4cc(N(c5ccc(-c7nc8ccccc8s7)cc5)c5ccc(-n7c8ccccc8c8ccccc87)cc5)ccc46)cc3)nc2c1.
What is the InChIKey of 7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine?
The InChIKey is KFJZCAUEYWBZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H48N6O2S2/c1-7-19-69-59(13-1)60-14-2-8-20-70(60)85(69)55-37-33-53(34-38-55)83(51-29-25-49(26-30-51)79-81-67-17-5-11-23-77(67)89-79)57-41-43-63-65-47-76-66(48-75(65)87-73(63)45-57)64-44-42-58(46-74(64)88-76)84(52-31-27-50(28-32-52)80-82-68-18-6-12-24-78(68)90-80)54-35-39-56(40-36-54)86-71-21-9-3-15-61(71)62-16-4-10-22-72(62)86/h1-48H.
What are the key properties of 7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine?
7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine has a molecular weight of 1189.44 g/mol, XLogP of 23.17, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine is sourced from PubChem (CID 162483420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).