8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine

C60H34N2O2S3 — CID 170235194

IUPAC8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
SMILESc1ccc(N(c2ccc3c(c2)sc2cc4sc5cc6sc7cc(N(c8ccccc8)c8ccc9oc%10ccccc%10c9c8)ccc7c6cc5c4cc23)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C60H34N2O2S3/c1-3-11-35(12-4-1)61(37-21-25-53-45(27-37)41-15-7-9-17-51(41)63-53)39-19-23-43-47-31-49-50-32-48-44-24-20-40(30-56(44)66-58(48)34-60(50)67-59(49)33-57(47)65-55(43)29-39)62(36-13-5-2-6-14-36)38-22-26-54-46(28-38)42-16-8-10-18-52(42)64-54/h1-34H
InChIKeyKPCQQJDJFCKHJN-UHFFFAOYSA-N
MW911.15 g/mol
LogP19.53
Rot. Bonds6

About 8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine

8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine (PubChem CID 170235194) has the molecular formula C60H34N2O2S3 and a molecular weight of 911.15 g/mol. Its IUPAC name is 8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine.

Molecular Properties

Compound Name8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
PubChem CID170235194
Molecular FormulaC60H34N2O2S3
Molecular Weight911.15 g/mol
Exact Mass910.18
IUPAC Name8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
SMILESc1ccc(N(c2ccc3c(c2)sc2cc4sc5cc6sc7cc(N(c8ccccc8)c8ccc9oc%10ccccc%10c9c8)ccc7c6cc5c4cc23)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C60H34N2O2S3/c1-3-11-35(12-4-1)61(37-21-25-53-45(27-37)41-15-7-9-17-51(41)63-53)39-19-23-43-47-31-49-50-32-48-44-24-20-40(30-56(44)66-58(48)34-60(50)67-59(49)33-57(47)65-55(43)29-39)62(36-13-5-2-6-14-36)38-22-26-54-46(28-38)42-16-8-10-18-52(42)64-54/h1-34H
InChIKeyKPCQQJDJFCKHJN-UHFFFAOYSA-N
XLogP19.53
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.15
LogP ≤ 519.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)-N-triphenylen-2-yldibenzofuran-2-amine
CID 146494426
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine
CID 164799718
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
N,N-diphenyldibenzofuran-2-amine
CID 58038469
7-N-dibenzofuran-2-yl-19-N-dibenzothiophen-2-yl-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 146694397
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
N-dibenzothiophen-3-yl-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779092
6-N,18-N-di(dibenzofuran-3-yl)-6-N,18-N-diphenyl-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-6,18-diamine
CID 149289463
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504

Frequently Asked Questions

What is the IUPAC name of 8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine?
The IUPAC name of 8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine (CID 170235194) is 8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine.
What is the SMILES notation for 8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine?
The canonical SMILES for 8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine is c1ccc(N(c2ccc3c(c2)sc2cc4sc5cc6sc7cc(N(c8ccccc8)c8ccc9oc%10ccccc%10c9c8)ccc7c6cc5c4cc23)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine?
The InChIKey is KPCQQJDJFCKHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N2O2S3/c1-3-11-35(12-4-1)61(37-21-25-53-45(27-37)41-15-7-9-17-51(41)63-53)39-19-23-43-47-31-49-50-32-48-44-24-20-40(30-56(44)66-58(48)34-60(50)67-59(49)33-57(47)65-55(43)29-39)62(36-13-5-2-6-14-36)38-22-26-54-46(28-38)42-16-8-10-18-52(42)64-54/h1-34H.
What are the key properties of 8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine?
8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine has a molecular weight of 911.15 g/mol, XLogP of 19.53, 6 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(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine is sourced from PubChem (CID 170235194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).