2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C148H101N9 — CID 159082220

IUPAC2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cccc3cc21.CC1(C)c2ccccc2-c2cc3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4)c3cc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6cc7c(cc6c5)-c5ccccc5C7(c5ccccc5)c5ccccc5)c5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C60H39N3.2C44H31N3/c1-5-17-40(18-6-1)41-29-31-43(32-30-41)58-61-57(42-19-7-2-8-20-42)62-59(63-58)48-36-45-21-13-14-26-51(45)53(38-48)46-34-33-44-39-56-54(37-47(44)35-46)52-27-15-16-28-55(52)60(56,49-22-9-3-10-23-49)50-24-11-4-12-25-50;1-44(2)39-23-12-11-21-35(39)38-27-37-30(26-40(38)44)18-13-22-33(37)34-24-25-36(32-20-10-9-19-31(32)34)43-46-41(28-14-5-3-6-15-28)45-42(47-43)29-16-7-4-8-17-29;1-44(2)39-21-9-8-19-36(39)38-26-32-17-11-20-35(37(32)27-40(38)44)31-16-10-18-33(25-31)42-45-41(29-13-4-3-5-14-29)46-43(47-42)34-23-22-28-12-6-7-15-30(28)24-34/h1-39H;2*3-27H,1-2H3
InChIKeyKAZRFYOCRLYRJY-UHFFFAOYSA-N
MW2005.50 g/mol
LogP37.18
Rot. Bonds15

About 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 159082220) has the molecular formula C148H101N9 and a molecular weight of 2005.50 g/mol. Its IUPAC name is 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID159082220
Molecular FormulaC148H101N9
Molecular Weight2005.50 g/mol
Exact Mass2003.82
IUPAC Name2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cccc3cc21.CC1(C)c2ccccc2-c2cc3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4)c3cc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6cc7c(cc6c5)-c5ccccc5C7(c5ccccc5)c5ccccc5)c5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C60H39N3.2C44H31N3/c1-5-17-40(18-6-1)41-29-31-43(32-30-41)58-61-57(42-19-7-2-8-20-42)62-59(63-58)48-36-45-21-13-14-26-51(45)53(38-48)46-34-33-44-39-56-54(37-47(44)35-46)52-27-15-16-28-55(52)60(56,49-22-9-3-10-23-49)50-24-11-4-12-25-50;1-44(2)39-23-12-11-21-35(39)38-27-37-30(26-40(38)44)18-13-22-33(37)34-24-25-36(32-20-10-9-19-31(32)34)43-46-41(28-14-5-3-6-15-28)45-42(47-43)29-16-7-4-8-17-29;1-44(2)39-21-9-8-19-36(39)38-26-32-17-11-20-35(37(32)27-40(38)44)31-16-10-18-33(25-31)42-45-41(29-13-4-3-5-14-29)46-43(47-42)34-23-22-28-12-6-7-15-30(28)24-34/h1-39H;2*3-27H,1-2H3
InChIKeyKAZRFYOCRLYRJY-UHFFFAOYSA-N
XLogP37.18
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms157
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002005.50
LogP ≤ 537.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 159082220) is 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cccc3cc21.CC1(C)c2ccccc2-c2cc3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4)c3cc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6cc7c(cc6c5)-c5ccccc5C7(c5ccccc5)c5ccccc5)c5ccccc5c4)n3)cc2)cc1.
What is the InChIKey of 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is KAZRFYOCRLYRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3.2C44H31N3/c1-5-17-40(18-6-1)41-29-31-43(32-30-41)58-61-57(42-19-7-2-8-20-42)62-59(63-58)48-36-45-21-13-14-26-51(45)53(38-48)46-34-33-44-39-56-54(37-47(44)35-46)52-27-15-16-28-55(52)60(56,49-22-9-3-10-23-49)50-24-11-4-12-25-50;1-44(2)39-23-12-11-21-35(39)38-27-37-30(26-40(38)44)18-13-22-33(37)34-24-25-36(32-20-10-9-19-31(32)34)43-46-41(28-14-5-3-6-15-28)45-42(47-43)29-16-7-4-8-17-29;1-44(2)39-21-9-8-19-36(39)38-26-32-17-11-20-35(37(32)27-40(38)44)31-16-10-18-33(25-31)42-45-41(29-13-4-3-5-14-29)46-43(47-42)34-23-22-28-12-6-7-15-30(28)24-34/h1-39H;2*3-27H,1-2H3.
What are the key properties of 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 2005.50 g/mol, XLogP of 37.18, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 159082220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).