8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C143H90N12S3 — CID 157355866

IUPAC8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5nc6c(nc7ccccn76)c6ccccc56)c4)c3)ccc21.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2nc3c(nc4ccccn43)c3ccccc23)c1.c1ccc2c(c1)sc1ccc(-c3ccc(-c4ccc(-c5nc6c(nc7ccccn76)c6ccccc56)cc4)cc3)cc12.c1ccc2c(c1)sc1ccc(-c3ccc(-c4nc5c(nc6ccccn65)c5ccccc45)cc3)cc12
InChIInChI=1S/C41H29N3.C38H23N3S.2C32H19N3S/c1-41(2)35-18-6-5-15-31(35)34-25-29(20-21-36(34)41)27-12-9-11-26(23-27)28-13-10-14-30(24-28)38-32-16-3-4-17-33(32)39-40(43-38)44-22-8-7-19-37(44)42-39;1-2-9-31-30(8-1)36(40-38-37(31)39-35-11-5-6-22-41(35)38)27-18-16-25(17-19-27)24-12-14-26(15-13-24)28-20-21-34-32(23-28)29-7-3-4-10-33(29)42-34;1-2-12-25-24(11-1)30(34-32-31(25)33-29-14-5-6-17-35(29)32)22-9-7-8-20(18-22)21-15-16-28-26(19-21)23-10-3-4-13-27(23)36-28;1-2-9-25-24(8-1)30(34-32-31(25)33-29-11-5-6-18-35(29)32)21-14-12-20(13-15-21)22-16-17-28-26(19-22)23-7-3-4-10-27(23)36-28/h3-25H,1-2H3;1-23H;2*1-19H
InChIKeyBIBOQCHPSVVONT-UHFFFAOYSA-N
MW2072.58 g/mol
LogP38.22
Rot. Bonds10

About 8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 157355866) has the molecular formula C143H90N12S3 and a molecular weight of 2072.58 g/mol. Its IUPAC name is 8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID157355866
Molecular FormulaC143H90N12S3
Molecular Weight2072.58 g/mol
Exact Mass2070.66
IUPAC Name8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5nc6c(nc7ccccn76)c6ccccc56)c4)c3)ccc21.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2nc3c(nc4ccccn43)c3ccccc23)c1.c1ccc2c(c1)sc1ccc(-c3ccc(-c4ccc(-c5nc6c(nc7ccccn76)c6ccccc56)cc4)cc3)cc12.c1ccc2c(c1)sc1ccc(-c3ccc(-c4nc5c(nc6ccccn65)c5ccccc45)cc3)cc12
InChIInChI=1S/C41H29N3.C38H23N3S.2C32H19N3S/c1-41(2)35-18-6-5-15-31(35)34-25-29(20-21-36(34)41)27-12-9-11-26(23-27)28-13-10-14-30(24-28)38-32-16-3-4-17-33(32)39-40(43-38)44-22-8-7-19-37(44)42-39;1-2-9-31-30(8-1)36(40-38-37(31)39-35-11-5-6-22-41(35)38)27-18-16-25(17-19-27)24-12-14-26(15-13-24)28-20-21-34-32(23-28)29-7-3-4-10-33(29)42-34;1-2-12-25-24(11-1)30(34-32-31(25)33-29-14-5-6-17-35(29)32)22-9-7-8-20(18-22)21-15-16-28-26(19-21)23-10-3-4-13-27(23)36-28;1-2-9-25-24(8-1)30(34-32-31(25)33-29-11-5-6-18-35(29)32)21-14-12-20(13-15-21)22-16-17-28-26(19-22)23-7-3-4-10-27(23)36-28/h3-25H,1-2H3;1-23H;2*1-19H
InChIKeyBIBOQCHPSVVONT-UHFFFAOYSA-N
XLogP38.22
TPSA120.76 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002072.58
LogP ≤ 538.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Related Compounds

9-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393325
8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393406
5-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline
CID 129134380
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585075
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171582951
8-[3-[4-(2,3-dihydrodibenzothiophen-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 146325407
8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393457
2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 158464749
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585529
8-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393615
8-(3-dibenzoselenophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 153440489
9-(3-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392867

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 157355866) is 8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5nc6c(nc7ccccn76)c6ccccc56)c4)c3)ccc21.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2nc3c(nc4ccccn43)c3ccccc23)c1.c1ccc2c(c1)sc1ccc(-c3ccc(-c4ccc(-c5nc6c(nc7ccccn76)c6ccccc56)cc4)cc3)cc12.c1ccc2c(c1)sc1ccc(-c3ccc(-c4nc5c(nc6ccccn65)c5ccccc45)cc3)cc12.
What is the InChIKey of 8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is BIBOQCHPSVVONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3.C38H23N3S.2C32H19N3S/c1-41(2)35-18-6-5-15-31(35)34-25-29(20-21-36(34)41)27-12-9-11-26(23-27)28-13-10-14-30(24-28)38-32-16-3-4-17-33(32)39-40(43-38)44-22-8-7-19-37(44)42-39;1-2-9-31-30(8-1)36(40-38-37(31)39-35-11-5-6-22-41(35)38)27-18-16-25(17-19-27)24-12-14-26(15-13-24)28-20-21-34-32(23-28)29-7-3-4-10-33(29)42-34;1-2-12-25-24(11-1)30(34-32-31(25)33-29-14-5-6-17-35(29)32)22-9-7-8-20(18-22)21-15-16-28-26(19-21)23-10-3-4-13-27(23)36-28;1-2-9-25-24(8-1)30(34-32-31(25)33-29-11-5-6-18-35(29)32)21-14-12-20(13-15-21)22-16-17-28-26(19-22)23-7-3-4-10-27(23)36-28/h3-25H,1-2H3;1-23H;2*1-19H.
What are the key properties of 8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 2072.58 g/mol, XLogP of 38.22, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(3-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-(4-dibenzothiophen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 157355866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).