bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)

C186H126N10 — CID 162253673

IUPACbis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)n3)c2)cc1
InChIInChI=1S/2C47H32N2.2C46H31N3/c2*1-4-16-33(17-5-1)35-20-14-21-36(30-35)44-32-45(49-46(48-44)34-18-6-2-7-19-34)37-22-15-25-39(31-37)47(38-23-8-3-9-24-38)42-28-12-10-26-40(42)41-27-11-13-29-43(41)47;2*1-4-16-32(17-5-1)34-20-14-21-35(30-34)44-47-43(33-18-6-2-7-19-33)48-45(49-44)36-22-15-25-38(31-36)46(37-23-8-3-9-24-37)41-28-12-10-26-39(41)40-27-11-13-29-42(40)46/h2*1-32H;2*1-31H
InChIKeyZYHWFWOJGVCJJS-UHFFFAOYSA-N
MW2501.12 g/mol
LogP44.82
Rot. Bonds24

About bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)

bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine) (PubChem CID 162253673) has the molecular formula C186H126N10 and a molecular weight of 2501.12 g/mol. Its IUPAC name is bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine).

Molecular Properties

Compound Namebis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)
PubChem CID162253673
Molecular FormulaC186H126N10
Molecular Weight2501.12 g/mol
Exact Mass2499.02
IUPAC Namebis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)n3)c2)cc1
InChIInChI=1S/2C47H32N2.2C46H31N3/c2*1-4-16-33(17-5-1)35-20-14-21-36(30-35)44-32-45(49-46(48-44)34-18-6-2-7-19-34)37-22-15-25-39(31-37)47(38-23-8-3-9-24-38)42-28-12-10-26-40(42)41-27-11-13-29-43(41)47;2*1-4-16-32(17-5-1)34-20-14-21-35(30-34)44-47-43(33-18-6-2-7-19-33)48-45(49-44)36-22-15-25-38(31-36)46(37-23-8-3-9-24-37)41-28-12-10-26-39(41)40-27-11-13-29-42(40)46/h2*1-32H;2*1-31H
InChIKeyZYHWFWOJGVCJJS-UHFFFAOYSA-N
XLogP44.82
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms196
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002501.12
LogP ≤ 544.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-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-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine
CID 130375074
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
2,4-diphenyl-6-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 130375062
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 157413794
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159851053
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159194371
3-[3-[9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile
CID 146539072
15-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,8-diphenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 148644834

Frequently Asked Questions

What is the IUPAC name of bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)?
The IUPAC name of bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine) (CID 162253673) is bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine).
What is the SMILES notation for bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)?
The canonical SMILES for bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine) is c1ccc(-c2cccc(-c3cc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)n3)c2)cc1.
What is the InChIKey of bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)?
The InChIKey is ZYHWFWOJGVCJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H32N2.2C46H31N3/c2*1-4-16-33(17-5-1)35-20-14-21-36(30-35)44-32-45(49-46(48-44)34-18-6-2-7-19-34)37-22-15-25-39(31-37)47(38-23-8-3-9-24-38)42-28-12-10-26-40(42)41-27-11-13-29-43(41)47;2*1-4-16-32(17-5-1)34-20-14-21-35(30-34)44-47-43(33-18-6-2-7-19-33)48-45(49-44)36-22-15-25-38(31-36)46(37-23-8-3-9-24-37)41-28-12-10-26-39(41)40-27-11-13-29-42(40)46/h2*1-32H;2*1-31H.
What are the key properties of bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)?
bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine) has a molecular weight of 2501.12 g/mol, XLogP of 44.82, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine) is sourced from PubChem (CID 162253673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).