2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole

C192H115N13O3 — CID 164959858

IUPAC2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4ccc5c6ccccc6ccc5c4c3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3c(-c4ccc5ccc6c7ccccc7ccc6c5c4)ccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cc4ccccc4cc3-c3ccc4ccc5c6ccccc6ccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4ccccc4c3-c3ccc4ccc5c6ccccc6ccc5c4c3)n2)cc1
InChIInChI=1S/3C49H29N3O.C45H28N4/c1-2-12-33(13-3-1)47-50-48(35-23-27-45-43(29-35)40-16-8-9-17-44(40)53-45)52-49(51-47)41-26-22-31-11-5-7-15-37(31)46(41)34-19-18-32-21-24-38-36-14-6-4-10-30(36)20-25-39(38)42(32)28-34;1-2-12-33(13-3-1)47-50-48(35-23-27-45-43(29-35)41-16-8-9-17-44(41)53-45)52-49(51-47)46-37-15-7-5-11-31(37)20-24-38(46)34-19-18-32-22-25-39-36-14-6-4-10-30(36)21-26-40(39)42(32)28-34;1-2-11-32(12-3-1)47-50-48(36-22-25-46-43(29-36)40-16-8-9-17-45(40)53-46)52-49(51-47)44-27-34-14-5-4-13-33(34)26-42(44)35-19-18-31-21-23-38-37-15-7-6-10-30(37)20-24-39(38)41(31)28-35;1-3-12-31(13-4-1)43-46-44(32-20-19-30-22-24-36-35-16-8-7-11-29(35)21-25-37(36)40(30)27-32)48-45(47-43)33-23-26-39-38-17-9-10-18-41(38)49(42(39)28-33)34-14-5-2-6-15-34/h3*1-29H;1-28H
InChIKeyBRPMMYCPISBCBT-UHFFFAOYSA-N
MW2652.12 g/mol
LogP50.58
Rot. Bonds16

About 2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole

2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole (PubChem CID 164959858) has the molecular formula C192H115N13O3 and a molecular weight of 2652.12 g/mol. Its IUPAC name is 2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
PubChem CID164959858
Molecular FormulaC192H115N13O3
Molecular Weight2652.12 g/mol
Exact Mass2649.92
IUPAC Name2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4ccc5c6ccccc6ccc5c4c3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3c(-c4ccc5ccc6c7ccccc7ccc6c5c4)ccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cc4ccccc4cc3-c3ccc4ccc5c6ccccc6ccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4ccccc4c3-c3ccc4ccc5c6ccccc6ccc5c4c3)n2)cc1
InChIInChI=1S/3C49H29N3O.C45H28N4/c1-2-12-33(13-3-1)47-50-48(35-23-27-45-43(29-35)40-16-8-9-17-44(40)53-45)52-49(51-47)41-26-22-31-11-5-7-15-37(31)46(41)34-19-18-32-21-24-38-36-14-6-4-10-30(36)20-25-39(38)42(32)28-34;1-2-12-33(13-3-1)47-50-48(35-23-27-45-43(29-35)41-16-8-9-17-44(41)53-45)52-49(51-47)46-37-15-7-5-11-31(37)20-24-38(46)34-19-18-32-22-25-39-36-14-6-4-10-30(36)21-26-40(39)42(32)28-34;1-2-11-32(12-3-1)47-50-48(36-22-25-46-43(29-36)40-16-8-9-17-45(40)53-46)52-49(51-47)44-27-34-14-5-4-13-33(34)26-42(44)35-19-18-31-21-23-38-37-15-7-6-10-30(37)20-24-39(38)41(31)28-35;1-3-12-31(13-4-1)43-46-44(32-20-19-30-22-24-36-35-16-8-7-11-29(35)21-25-37(36)40(30)27-32)48-45(47-43)33-23-26-39-38-17-9-10-18-41(38)49(42(39)28-33)34-14-5-2-6-15-34/h3*1-29H;1-28H
InChIKeyBRPMMYCPISBCBT-UHFFFAOYSA-N
XLogP50.58
TPSA199.03 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002652.12
LogP ≤ 550.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole with MolForge

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Related Compounds

2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146367342
2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164970157
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 168721846
5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole
CID 155430650
2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342632
2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole
CID 129099674
2-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;2-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164982376
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154464
2-(4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534501
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 158642418
1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole
CID 167624935

Frequently Asked Questions

What is the IUPAC name of 2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The IUPAC name of 2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole (CID 164959858) is 2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The canonical SMILES for 2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4ccc5c6ccccc6ccc5c4c3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3c(-c4ccc5ccc6c7ccccc7ccc6c5c4)ccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cc4ccccc4cc3-c3ccc4ccc5c6ccccc6ccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4ccccc4c3-c3ccc4ccc5c6ccccc6ccc5c4c3)n2)cc1.
What is the InChIKey of 2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The InChIKey is BRPMMYCPISBCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C49H29N3O.C45H28N4/c1-2-12-33(13-3-1)47-50-48(35-23-27-45-43(29-35)40-16-8-9-17-44(40)53-45)52-49(51-47)41-26-22-31-11-5-7-15-37(31)46(41)34-19-18-32-21-24-38-36-14-6-4-10-30(36)20-25-39(38)42(32)28-34;1-2-12-33(13-3-1)47-50-48(35-23-27-45-43(29-35)41-16-8-9-17-44(41)53-45)52-49(51-47)46-37-15-7-5-11-31(37)20-24-38(46)34-19-18-32-22-25-39-36-14-6-4-10-30(36)21-26-40(39)42(32)28-34;1-2-11-32(12-3-1)47-50-48(36-22-25-46-43(29-36)40-16-8-9-17-45(40)53-46)52-49(51-47)44-27-34-14-5-4-13-33(34)26-42(44)35-19-18-31-21-23-38-37-15-7-6-10-30(37)20-24-39(38)41(31)28-35;1-3-12-31(13-4-1)43-46-44(32-20-19-30-22-24-36-35-16-8-7-11-29(35)21-25-37(36)40(30)27-32)48-45(47-43)33-23-26-39-38-17-9-10-18-41(38)49(42(39)28-33)34-14-5-2-6-15-34/h3*1-29H;1-28H.
What are the key properties of 2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole has a molecular weight of 2652.12 g/mol, XLogP of 50.58, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 164959858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).