2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine

C147H97N9 — CID 158822940

IUPAC2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc4ccccc34)n2)cc1
InChIInChI=1S/C56H37N3.C50H33N3.C41H27N3/c1-5-17-38(18-6-1)39-29-31-42(32-30-39)54-57-53(41-20-7-2-8-21-41)58-55(59-54)52-46-26-14-13-19-40(46)33-35-47(52)43-34-36-49-48-27-15-16-28-50(48)56(51(49)37-43,44-22-9-3-10-23-44)45-24-11-4-12-25-45;1-5-18-35(19-6-1)47-51-48(36-20-7-2-8-21-36)53-49(52-47)46-40-26-14-13-17-34(40)29-31-41(46)37-30-32-43-42-27-15-16-28-44(42)50(45(43)33-37,38-22-9-3-10-23-38)39-24-11-4-12-25-39;1-4-14-28(15-5-1)32-24-33(38-27-31-20-10-11-21-35(31)36-22-12-13-23-37(36)38)26-34(25-32)41-43-39(29-16-6-2-7-17-29)42-40(44-41)30-18-8-3-9-19-30/h1-37H;1-33H;1-27H
InChIKeyIWCFIXWULDJOPM-UHFFFAOYSA-N
MW1989.46 g/mol
LogP36.29
Rot. Bonds18

About 2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine

2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 158822940) has the molecular formula C147H97N9 and a molecular weight of 1989.46 g/mol. Its IUPAC name is 2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID158822940
Molecular FormulaC147H97N9
Molecular Weight1989.46 g/mol
Exact Mass1987.79
IUPAC Name2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc4ccccc34)n2)cc1
InChIInChI=1S/C56H37N3.C50H33N3.C41H27N3/c1-5-17-38(18-6-1)39-29-31-42(32-30-39)54-57-53(41-20-7-2-8-21-41)58-55(59-54)52-46-26-14-13-19-40(46)33-35-47(52)43-34-36-49-48-27-15-16-28-50(48)56(51(49)37-43,44-22-9-3-10-23-44)45-24-11-4-12-25-45;1-5-18-35(19-6-1)47-51-48(36-20-7-2-8-21-36)53-49(52-47)46-40-26-14-13-17-34(40)29-31-41(46)37-30-32-43-42-27-15-16-28-44(42)50(45(43)33-37,38-22-9-3-10-23-38)39-24-11-4-12-25-39;1-4-14-28(15-5-1)32-24-33(38-27-31-20-10-11-21-35(31)36-22-12-13-23-37(36)38)26-34(25-32)41-43-39(29-16-6-2-7-17-29)42-40(44-41)30-18-8-3-9-19-30/h1-37H;1-33H;1-27H
InChIKeyIWCFIXWULDJOPM-UHFFFAOYSA-N
XLogP36.29
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001989.46
LogP ≤ 536.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine 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

2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 122416420
2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 171592300
2-phenanthren-9-yl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164949544
2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-(2-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 157487558
9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]carbazole
CID 139500828
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine;2-(3-phenanthren-9-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-phenanthren-9-yl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164949541
4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632236
2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167177308
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164974676

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 158822940) is 2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc4ccccc34)n2)cc1.
What is the InChIKey of 2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is IWCFIXWULDJOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3.C50H33N3.C41H27N3/c1-5-17-38(18-6-1)39-29-31-42(32-30-39)54-57-53(41-20-7-2-8-21-41)58-55(59-54)52-46-26-14-13-19-40(46)33-35-47(52)43-34-36-49-48-27-15-16-28-50(48)56(51(49)37-43,44-22-9-3-10-23-44)45-24-11-4-12-25-45;1-5-18-35(19-6-1)47-51-48(36-20-7-2-8-21-36)53-49(52-47)46-40-26-14-13-17-34(40)29-31-41(46)37-30-32-43-42-27-15-16-28-44(42)50(45(43)33-37,38-22-9-3-10-23-38)39-24-11-4-12-25-39;1-4-14-28(15-5-1)32-24-33(38-27-31-20-10-11-21-35(31)36-22-12-13-23-37(36)38)26-34(25-32)41-43-39(29-16-6-2-7-17-29)42-40(44-41)30-18-8-3-9-19-30/h1-37H;1-33H;1-27H.
What are the key properties of 2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1989.46 g/mol, XLogP of 36.29, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-phenanthren-9-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 158822940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).