8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine

C60H36N2S3 — CID 118242864

IUPAC8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-n6c7ccc8sc9ccccc9c8c7c7c8c(ccc76)sc6ccccc68)cc5c4c3)cc2)cc1
InChIInChI=1S/C60H36N2S3/c1-3-11-37(12-4-1)39-19-23-41(24-20-39)61(42-25-21-40(22-26-42)38-13-5-2-6-14-38)43-27-31-53-47(35-43)48-36-44(28-32-54(48)63-53)62-49-29-33-55-57(45-15-7-9-17-51(45)64-55)59(49)60-50(62)30-34-56-58(60)46-16-8-10-18-52(46)65-56/h1-36H
InChIKeyNGVZDHHFFODFRH-UHFFFAOYSA-N
MW881.16 g/mol
LogP18.69
Rot. Bonds6

About 8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine

8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 118242864) has the molecular formula C60H36N2S3 and a molecular weight of 881.16 g/mol. Its IUPAC name is 8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID118242864
Molecular FormulaC60H36N2S3
Molecular Weight881.16 g/mol
Exact Mass880.20
IUPAC Name8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-n6c7ccc8sc9ccccc9c8c7c7c8c(ccc76)sc6ccccc68)cc5c4c3)cc2)cc1
InChIInChI=1S/C60H36N2S3/c1-3-11-37(12-4-1)39-19-23-41(24-20-39)61(42-25-21-40(22-26-42)38-13-5-2-6-14-38)43-27-31-53-47(35-43)48-36-44(28-32-54(48)63-53)62-49-29-33-55-57(45-15-7-9-17-51(45)64-55)59(49)60-50(62)30-34-56-58(60)46-16-8-10-18-52(46)65-56/h1-36H
InChIKeyNGVZDHHFFODFRH-UHFFFAOYSA-N
XLogP18.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.16
LogP ≤ 518.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine 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

N-(4-phenylphenyl)-N-[4-(9-triphenylen-2-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 89492006
N-[4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 89492158
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196056
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline
CID 89491937
9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 118333305
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
N-[4-[9-(8-methyldibenzothiophen-2-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90321254
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 90372249

Frequently Asked Questions

What is the IUPAC name of 8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of 8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine (CID 118242864) is 8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for 8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for 8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-n6c7ccc8sc9ccccc9c8c7c7c8c(ccc76)sc6ccccc68)cc5c4c3)cc2)cc1.
What is the InChIKey of 8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is NGVZDHHFFODFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2S3/c1-3-11-37(12-4-1)39-19-23-41(24-20-39)61(42-25-21-40(22-26-42)38-13-5-2-6-14-38)43-27-31-53-47(35-43)48-36-44(28-32-54(48)63-53)62-49-29-33-55-57(45-15-7-9-17-51(45)64-55)59(49)60-50(62)30-34-56-58(60)46-16-8-10-18-52(46)65-56/h1-36H.
What are the key properties of 8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 881.16 g/mol, XLogP of 18.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(10,20-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 118242864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).