6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]

C118H68N8OS3 — CID 163978973

IUPAC6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]
SMILESc1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5c6c(ccc45)C4(c5ccccc5S6)c5ccccc5-c5ccccc54)c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5c6c(ccc45)C4(c5ccccc5S6)c5ccccc5-c5ccccc54)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C59H34N4OS.C59H34N4S2/c1-2-16-35(17-3-1)56-61-57(63-58(62-56)43-24-15-30-50-52(43)41-23-7-12-29-49(41)64-50)37-19-14-18-36(34-37)54-42-32-33-47-55(53(42)40-22-6-11-28-48(40)60-54)65-51-31-13-10-27-46(51)59(47)44-25-8-4-20-38(44)39-21-5-9-26-45(39)59;1-2-16-35(17-3-1)56-61-57(63-58(62-56)44-25-15-24-41-40-22-7-12-30-50(40)64-54(41)44)37-19-14-18-36(34-37)53-43-32-33-48-55(52(43)42-23-6-11-29-49(42)60-53)65-51-31-13-10-28-47(51)59(48)45-26-8-4-20-38(45)39-21-5-9-27-46(39)59/h2*1-34H
InChIKeySWRGLNKATIWXCT-UHFFFAOYSA-N
MW1710.10 g/mol
LogP30.40
Rot. Bonds8

About 6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]

6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine] (PubChem CID 163978973) has the molecular formula C118H68N8OS3 and a molecular weight of 1710.10 g/mol. Its IUPAC name is 6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine].

Molecular Properties

Compound Name6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]
PubChem CID163978973
Molecular FormulaC118H68N8OS3
Molecular Weight1710.10 g/mol
Exact Mass1708.47
IUPAC Name6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]
SMILESc1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5c6c(ccc45)C4(c5ccccc5S6)c5ccccc5-c5ccccc54)c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5c6c(ccc45)C4(c5ccccc5S6)c5ccccc5-c5ccccc54)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C59H34N4OS.C59H34N4S2/c1-2-16-35(17-3-1)56-61-57(63-58(62-56)43-24-15-30-50-52(43)41-23-7-12-29-49(41)64-50)37-19-14-18-36(34-37)54-42-32-33-47-55(53(42)40-22-6-11-28-48(40)60-54)65-51-31-13-10-27-46(51)59(47)44-25-8-4-20-38(44)39-21-5-9-26-45(39)59;1-2-16-35(17-3-1)56-61-57(63-58(62-56)44-25-15-24-41-40-22-7-12-30-50(40)64-54(41)44)37-19-14-18-36(34-37)53-43-32-33-48-55(52(43)42-23-6-11-29-49(42)60-53)65-51-31-13-10-28-47(51)59(48)45-26-8-4-20-38(45)39-21-5-9-27-46(39)59/h2*1-34H
InChIKeySWRGLNKATIWXCT-UHFFFAOYSA-N
XLogP30.40
TPSA116.26 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001710.10
LogP ≤ 530.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine] 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

14-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-thioxanthene];14-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-thioxanthene];14-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-thioxanthene]
CID 164999294
14-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene];14-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene];14-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene]
CID 165075987
6'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]
CID 148808351
6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]
CID 162694359
2-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246935
6'-phenyl-2'-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]
CID 146613345
16-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-thioxanthene]
CID 164737373
21-[4-[4-dibenzofuran-1-yl-6-[3-[6-[4-phenyl-6-(4-spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]-21-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 146615605
2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734860
6-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163602817
2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
6-[4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 155018983

Frequently Asked Questions

What is the IUPAC name of 6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]?
The IUPAC name of 6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine] (CID 163978973) is 6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine].
What is the SMILES notation for 6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]?
The canonical SMILES for 6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine] is c1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5c6c(ccc45)C4(c5ccccc5S6)c5ccccc5-c5ccccc54)c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5c6c(ccc45)C4(c5ccccc5S6)c5ccccc5-c5ccccc54)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]?
The InChIKey is SWRGLNKATIWXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N4OS.C59H34N4S2/c1-2-16-35(17-3-1)56-61-57(63-58(62-56)43-24-15-30-50-52(43)41-23-7-12-29-49(41)64-50)37-19-14-18-36(34-37)54-42-32-33-47-55(53(42)40-22-6-11-28-48(40)60-54)65-51-31-13-10-27-46(51)59(47)44-25-8-4-20-38(44)39-21-5-9-26-45(39)59;1-2-16-35(17-3-1)56-61-57(63-58(62-56)44-25-15-24-41-40-22-7-12-30-50(40)64-54(41)44)37-19-14-18-36(34-37)53-43-32-33-48-55(52(43)42-23-6-11-29-49(42)60-53)65-51-31-13-10-28-47(51)59(48)45-26-8-4-20-38(45)39-21-5-9-27-46(39)59/h2*1-34H.
What are the key properties of 6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]?
6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine] has a molecular weight of 1710.10 g/mol, XLogP of 30.40, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine] is sourced from PubChem (CID 163978973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).