2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine

C45H32N4 — CID 146632427

IUPAC2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccncc5)cc4)n3)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C45H32N4/c1-45(2)39-22-21-36(28-38(39)41-37-11-7-6-10-33(37)20-23-40(41)45)44-48-42(34-16-12-30(13-17-34)29-8-4-3-5-9-29)47-43(49-44)35-18-14-31(15-19-35)32-24-26-46-27-25-32/h3-28H,1-2H3
InChIKeyUQNUUAZWYCDHPC-UHFFFAOYSA-N
MW628.78 g/mol
LogP11.06
Rot. Bonds5

About 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine

2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 146632427) has the molecular formula C45H32N4 and a molecular weight of 628.78 g/mol. Its IUPAC name is 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID146632427
Molecular FormulaC45H32N4
Molecular Weight628.78 g/mol
Exact Mass628.26
IUPAC Name2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccncc5)cc4)n3)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C45H32N4/c1-45(2)39-22-21-36(28-38(39)41-37-11-7-6-10-33(37)20-23-40(41)45)44-48-42(34-16-12-30(13-17-34)29-8-4-3-5-9-29)47-43(49-44)35-18-14-31(15-19-35)32-24-26-46-27-25-32/h3-28H,1-2H3
InChIKeyUQNUUAZWYCDHPC-UHFFFAOYSA-N
XLogP11.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 130355546
2-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150871
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[9,9-dimethyl-7-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167056770
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168777302
4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 146632178
7,7-dimethyl-10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 157086899
4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 168777005
2-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine;2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine;2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 161086297
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604
4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632850
4-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632085
4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632843

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (CID 146632427) is 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is CC1(C)c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccncc5)cc4)n3)cc2-c2c1ccc1ccccc21.
What is the InChIKey of 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is UQNUUAZWYCDHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4/c1-45(2)39-22-21-36(28-38(39)41-37-11-7-6-10-33(37)20-23-40(41)45)44-48-42(34-16-12-30(13-17-34)29-8-4-3-5-9-29)47-43(49-44)35-18-14-31(15-19-35)32-24-26-46-27-25-32/h3-28H,1-2H3.
What are the key properties of 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 628.78 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146632427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).