2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]

C175H103N11O2S3 — CID 163919087

IUPAC2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
SMILESc1ccc(-c2nc(-c3ccc4nc(-c5ccccc5)c5cc6c(cc5c4c3)C3(c4ccccc4S6)c4ccccc4-c4ccccc43)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4nc(-c5ccccc5)c5cc6c(cc5c4c3)C3(c4ccccc4S6)c4ccccc4-c4ccccc43)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3c3cc4c(cc23)Sc2ccccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C59H34N4OS.C57H35N3S/c1-3-16-35(17-4-1)54-45-34-53-49(59(48-27-12-14-29-52(48)65-53)46-25-10-7-20-38(46)39-21-8-11-26-47(39)59)33-43(45)44-32-37(30-31-50(44)60-54)57-61-56(36-18-5-2-6-19-36)62-58(63-57)42-24-15-23-41-40-22-9-13-28-51(40)64-55(41)42;1-3-16-35(17-4-1)55-44-34-53-48(59(47-26-12-14-29-52(47)65-53)45-24-10-7-20-38(45)39-21-8-11-25-46(39)59)33-42(44)43-32-37(30-31-49(43)60-55)57-61-56(36-18-5-2-6-19-36)62-58(63-57)41-23-15-28-51-54(41)40-22-9-13-27-50(40)64-51;1-3-15-37(16-4-1)55-45-35-54-49(57(48-23-11-14-26-53(48)61-54)46-21-9-7-19-41(46)42-20-8-10-22-47(42)57)34-43(45)44-33-39(31-32-50(44)58-55)36-27-29-38(30-28-36)56-59-51-24-12-13-25-52(51)60(56)40-17-5-2-6-18-40/h2*1-34H;1-35H
InChIKeyQYVTTWHFAYNRRQ-UHFFFAOYSA-N
MW2488.02 g/mol
LogP44.49
Rot. Bonds12

About 2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]

2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] (PubChem CID 163919087) has the molecular formula C175H103N11O2S3 and a molecular weight of 2488.02 g/mol. Its IUPAC name is 2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine].

Molecular Properties

Compound Name2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
PubChem CID163919087
Molecular FormulaC175H103N11O2S3
Molecular Weight2488.02 g/mol
Exact Mass2485.75
IUPAC Name2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
SMILESc1ccc(-c2nc(-c3ccc4nc(-c5ccccc5)c5cc6c(cc5c4c3)C3(c4ccccc4S6)c4ccccc4-c4ccccc43)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4nc(-c5ccccc5)c5cc6c(cc5c4c3)C3(c4ccccc4S6)c4ccccc4-c4ccccc43)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3c3cc4c(cc23)Sc2ccccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C59H34N4OS.C57H35N3S/c1-3-16-35(17-4-1)54-45-34-53-49(59(48-27-12-14-29-52(48)65-53)46-25-10-7-20-38(46)39-21-8-11-26-47(39)59)33-43(45)44-32-37(30-31-50(44)60-54)57-61-56(36-18-5-2-6-19-36)62-58(63-57)42-24-15-23-41-40-22-9-13-28-51(40)64-55(41)42;1-3-16-35(17-4-1)55-44-34-53-48(59(47-26-12-14-29-52(47)65-53)45-24-10-7-20-38(45)39-21-8-11-25-46(39)59)33-42(44)43-32-37(30-31-49(43)60-55)57-61-56(36-18-5-2-6-19-36)62-58(63-57)41-23-15-28-51-54(41)40-22-9-13-27-50(40)64-51;1-3-15-37(16-4-1)55-45-35-54-49(57(48-23-11-14-26-53(48)61-54)46-21-9-7-19-41(46)42-20-8-10-22-47(42)57)34-43(45)44-33-39(31-32-50(44)58-55)36-27-29-38(30-28-36)56-59-51-24-12-13-25-52(51)60(56)40-17-5-2-6-18-40/h2*1-34H;1-35H
InChIKeyQYVTTWHFAYNRRQ-UHFFFAOYSA-N
XLogP44.49
TPSA160.11 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002488.02
LogP ≤ 544.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] with MolForge

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Related Compounds

16-(4-dibenzofuran-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 164737458
2'-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
CID 163956452
21-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]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'-thioxanthene]
CID 146615546
6'-phenyl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
CID 146613452
1-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;1-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;1-[3-[4-dibenzofuran-1-yl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;1-[3-[4-dibenzofuran-4-yl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;1-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;9-phenyl-3-[4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159806293
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738136
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 142469829
2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
CID 163568769
16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene
CID 166584334
2-[2-(4-dibenzofuran-1-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzimidazole
CID 171812854
CID 146184551
CID 146184551
6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
CID 163595765

Frequently Asked Questions

What is the IUPAC name of 2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]?
The IUPAC name of 2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] (CID 163919087) is 2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine].
What is the SMILES notation for 2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]?
The canonical SMILES for 2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] is c1ccc(-c2nc(-c3ccc4nc(-c5ccccc5)c5cc6c(cc5c4c3)C3(c4ccccc4S6)c4ccccc4-c4ccccc43)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4nc(-c5ccccc5)c5cc6c(cc5c4c3)C3(c4ccccc4S6)c4ccccc4-c4ccccc43)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3c3cc4c(cc23)Sc2ccccc2C42c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]?
The InChIKey is QYVTTWHFAYNRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H34N4OS.C57H35N3S/c1-3-16-35(17-4-1)54-45-34-53-49(59(48-27-12-14-29-52(48)65-53)46-25-10-7-20-38(46)39-21-8-11-26-47(39)59)33-43(45)44-32-37(30-31-50(44)60-54)57-61-56(36-18-5-2-6-19-36)62-58(63-57)42-24-15-23-41-40-22-9-13-28-51(40)64-55(41)42;1-3-16-35(17-4-1)55-44-34-53-48(59(47-26-12-14-29-52(47)65-53)45-24-10-7-20-38(45)39-21-8-11-25-46(39)59)33-42(44)43-32-37(30-31-49(43)60-55)57-61-56(36-18-5-2-6-19-36)62-58(63-57)41-23-15-28-51-54(41)40-22-9-13-27-50(40)64-51;1-3-15-37(16-4-1)55-45-35-54-49(57(48-23-11-14-26-53(48)61-54)46-21-9-7-19-41(46)42-20-8-10-22-47(42)57)34-43(45)44-33-39(31-32-50(44)58-55)36-27-29-38(30-28-36)56-59-51-24-12-13-25-52(51)60(56)40-17-5-2-6-18-40/h2*1-34H;1-35H.
What are the key properties of 2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]?
2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] has a molecular weight of 2488.02 g/mol, XLogP of 44.49, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];2'-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] is sourced from PubChem (CID 163919087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).