2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine

C43H35N3 — CID 163608470

IUPAC2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4ccccc4c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2C1(C)C
InChIInChI=1S/C43H35N3/c1-42(2)35-24-14-13-22-34(35)37-32(23-15-25-36(37)43(42,3)4)33-27-26-28-16-11-12-21-31(28)38(33)41-45-39(29-17-7-5-8-18-29)44-40(46-41)30-19-9-6-10-20-30/h5-27H,1-4H3
InChIKeyGAPLQKGVSUSJQZ-UHFFFAOYSA-N
MW593.77 g/mol
LogP10.93
Rot. Bonds4

About 2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine

2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 163608470) has the molecular formula C43H35N3 and a molecular weight of 593.77 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID163608470
Molecular FormulaC43H35N3
Molecular Weight593.77 g/mol
Exact Mass593.28
IUPAC Name2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4ccccc4c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2C1(C)C
InChIInChI=1S/C43H35N3/c1-42(2)35-24-14-13-22-34(35)37-32(23-15-25-36(37)43(42,3)4)33-27-26-28-16-11-12-21-31(28)38(33)41-45-39(29-17-7-5-8-18-29)44-40(46-41)30-19-9-6-10-20-30/h5-27H,1-4H3
InChIKeyGAPLQKGVSUSJQZ-UHFFFAOYSA-N
XLogP10.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.77
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazine
CID 163702512
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779603
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
2,4-diphenyl-6-[4-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine
CID 163555543
2,4-diphenyl-6-[4-(12,12,13,13-tetramethyl-20-hexacyclo[12.12.0.02,11.03,8.016,25.019,24]hexacosa-1(14),2(11),3,5,7,9,15,17,19(24),20,22,25-dodecaenyl)phenyl]-1,3,5-triazine
CID 163690344
2-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazine
CID 167087370
2-[2-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-di(phenanthren-2-yl)-1,3,5-triazine
CID 118426887
2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
CID 163822142
2-chrysen-3-yl-4-phenyl-6-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazine
CID 170259799
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 130355546
2-[4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 176794028
2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-4,6-bis(3-phenylphenyl)pyrimidine
CID 176793680

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine (CID 163608470) is 2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3ccc4ccccc4c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2C1(C)C.
What is the InChIKey of 2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is GAPLQKGVSUSJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3/c1-42(2)35-24-14-13-22-34(35)37-32(23-15-25-36(37)43(42,3)4)33-27-26-28-16-11-12-21-31(28)38(33)41-45-39(29-17-7-5-8-18-29)44-40(46-41)30-19-9-6-10-20-30/h5-27H,1-4H3.
What are the key properties of 2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine?
2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 593.77 g/mol, XLogP of 10.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 163608470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).