4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine

C165H100N18O4S2 — CID 160871137

IUPAC4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESC1=CC2Oc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5c5ccccc5n6-c5ccccc5)n4)cc3C2C(c2nc(-c3ccccc3)c3oc4ccccc4c3n2)=C1.C1=CC2c3c(-c4nc(-c5ccccc5)nc(-c5ccc6oc7cc(-c8nc(-c9ccccc9)c9oc%10ccccc%10c9n8)ccc7c6c5)n4)cccc3N(c3ccccc3)C2C=C1.c1ccc(-c2nc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/2C55H34N6O2.C55H32N6S2/c1-4-16-33(17-5-1)49-51-50(38-23-11-13-28-44(38)63-51)57-54(56-49)40-25-15-29-46-48(40)41-32-35(30-31-45(41)62-46)53-58-52(34-18-6-2-7-19-34)59-55(60-53)39-24-14-27-43-47(39)37-22-10-12-26-42(37)61(43)36-20-8-3-9-21-36;1-4-15-33(16-5-1)49-51-50(40-22-11-13-26-45(40)63-51)57-53(56-49)36-27-29-38-42-31-35(28-30-46(42)62-47(38)32-36)54-58-52(34-17-6-2-7-18-34)59-55(60-54)41-23-14-25-44-48(41)39-21-10-12-24-43(39)61(44)37-19-8-3-9-20-37;1-4-16-33(17-5-1)48-51-49(40-23-11-13-29-45(40)62-51)57-53(56-48)35-30-31-37-38-24-14-26-42(50(38)63-46(37)32-35)55-59-52(34-18-6-2-7-19-34)58-54(60-55)41-25-15-28-44-47(41)39-22-10-12-27-43(39)61(44)36-20-8-3-9-21-36/h1-32,46,48H;1-32,39,43H;1-32H
InChIKeySLTRYRMOJMGEHV-UHFFFAOYSA-N
MW2462.87 g/mol
LogP41.18
Rot. Bonds18

About 4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine

4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 160871137) has the molecular formula C165H100N18O4S2 and a molecular weight of 2462.87 g/mol. Its IUPAC name is 4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID160871137
Molecular FormulaC165H100N18O4S2
Molecular Weight2462.87 g/mol
Exact Mass2460.76
IUPAC Name4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESC1=CC2Oc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5c5ccccc5n6-c5ccccc5)n4)cc3C2C(c2nc(-c3ccccc3)c3oc4ccccc4c3n2)=C1.C1=CC2c3c(-c4nc(-c5ccccc5)nc(-c5ccc6oc7cc(-c8nc(-c9ccccc9)c9oc%10ccccc%10c9n8)ccc7c6c5)n4)cccc3N(c3ccccc3)C2C=C1.c1ccc(-c2nc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/2C55H34N6O2.C55H32N6S2/c1-4-16-33(17-5-1)49-51-50(38-23-11-13-28-44(38)63-51)57-54(56-49)40-25-15-29-46-48(40)41-32-35(30-31-45(41)62-46)53-58-52(34-18-6-2-7-19-34)59-55(60-53)39-24-14-27-43-47(39)37-22-10-12-26-42(37)61(43)36-20-8-3-9-21-36;1-4-15-33(16-5-1)49-51-50(40-22-11-13-26-45(40)63-51)57-53(56-49)36-27-29-38-42-31-35(28-30-46(42)62-47(38)32-36)54-58-52(34-17-6-2-7-18-34)59-55(60-54)41-23-14-25-44-48(41)39-21-10-12-24-43(39)61(44)37-19-8-3-9-20-37;1-4-16-33(17-5-1)48-51-49(40-23-11-13-29-45(40)62-51)57-53(56-48)35-30-31-37-38-24-14-26-42(50(38)63-46(37)32-35)55-59-52(34-18-6-2-7-19-34)58-54(60-55)41-25-15-28-44-47(41)39-22-10-12-27-43(39)61(44)36-20-8-3-9-21-36/h1-32,46,48H;1-32,39,43H;1-32H
InChIKeySLTRYRMOJMGEHV-UHFFFAOYSA-N
XLogP41.18
TPSA255.10 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms189
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002462.87
LogP ≤ 541.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine (CID 160871137) is 4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine is C1=CC2Oc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5c5ccccc5n6-c5ccccc5)n4)cc3C2C(c2nc(-c3ccccc3)c3oc4ccccc4c3n2)=C1.C1=CC2c3c(-c4nc(-c5ccccc5)nc(-c5ccc6oc7cc(-c8nc(-c9ccccc9)c9oc%10ccccc%10c9n8)ccc7c6c5)n4)cccc3N(c3ccccc3)C2C=C1.c1ccc(-c2nc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is SLTRYRMOJMGEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H34N6O2.C55H32N6S2/c1-4-16-33(17-5-1)49-51-50(38-23-11-13-28-44(38)63-51)57-54(56-49)40-25-15-29-46-48(40)41-32-35(30-31-45(41)62-46)53-58-52(34-18-6-2-7-19-34)59-55(60-53)39-24-14-27-43-47(39)37-22-10-12-26-42(37)61(43)36-20-8-3-9-21-36;1-4-15-33(16-5-1)49-51-50(40-22-11-13-26-45(40)63-51)57-53(56-49)36-27-29-38-42-31-35(28-30-46(42)62-47(38)32-36)54-58-52(34-17-6-2-7-18-34)59-55(60-54)41-23-14-25-44-48(41)39-21-10-12-24-43(39)61(44)37-19-8-3-9-20-37;1-4-16-33(17-5-1)48-51-49(40-23-11-13-29-45(40)62-51)57-53(56-48)35-30-31-37-38-24-14-26-42(50(38)63-46(37)32-35)55-59-52(34-18-6-2-7-19-34)58-54(60-55)41-25-15-28-44-47(41)39-22-10-12-27-43(39)61(44)36-20-8-3-9-21-36/h1-32,46,48H;1-32,39,43H;1-32H.
What are the key properties of 4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine?
4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2462.87 g/mol, XLogP of 41.18, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[8-[4-phenyl-6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[6-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 160871137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).