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

C112H94N8 — CID 163651714

IUPAC2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)ccc2C1(C)C.CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)ccc2C1(C)C.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc2C1(C)C
InChIInChI=1S/C43H35N3.C37H31N3.C32H28N2/c1-42(2)37-24-12-11-19-34(37)36-27-30(25-26-38(36)43(42,3)4)31-20-13-22-33-32(31)21-14-23-35(33)41-45-39(28-15-7-5-8-16-28)44-40(46-41)29-17-9-6-10-18-29;1-36(2)31-17-11-10-16-29(31)30-23-28(20-21-32(30)37(36,3)4)35-39-33(25-13-6-5-7-14-25)38-34(40-35)27-19-18-24-12-8-9-15-26(24)22-27;1-31(2)26-16-10-8-14-23(26)24-19-18-22(20-27(24)32(31,3)4)30-33-28-17-11-9-15-25(28)29(34-30)21-12-6-5-7-13-21/h5-27H,1-4H3;5-23H,1-4H3;5-20H,1-4H3
InChIKeyIMTXIPXRAAZJIH-UHFFFAOYSA-N
MW1552.04 g/mol
LogP28.39
Rot. Bonds9

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

2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline (PubChem CID 163651714) has the molecular formula C112H94N8 and a molecular weight of 1552.04 g/mol. Its IUPAC name is 2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline.

Molecular Properties

Compound Name2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline
PubChem CID163651714
Molecular FormulaC112H94N8
Molecular Weight1552.04 g/mol
Exact Mass1550.76
IUPAC Name2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)ccc2C1(C)C.CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)ccc2C1(C)C.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc2C1(C)C
InChIInChI=1S/C43H35N3.C37H31N3.C32H28N2/c1-42(2)37-24-12-11-19-34(37)36-27-30(25-26-38(36)43(42,3)4)31-20-13-22-33-32(31)21-14-23-35(33)41-45-39(28-15-7-5-8-16-28)44-40(46-41)29-17-9-6-10-18-29;1-36(2)31-17-11-10-16-29(31)30-23-28(20-21-32(30)37(36,3)4)35-39-33(25-13-6-5-7-14-25)38-34(40-35)27-19-18-24-12-8-9-15-26(24)22-27;1-31(2)26-16-10-8-14-23(26)24-19-18-22(20-27(24)32(31,3)4)30-33-28-17-11-9-15-25(28)29(34-30)21-12-6-5-7-13-21/h5-27H,1-4H3;5-23H,1-4H3;5-20H,1-4H3
InChIKeyIMTXIPXRAAZJIH-UHFFFAOYSA-N
XLogP28.39
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001552.04
LogP ≤ 528.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline 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
2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)-1,3,5-triazine
CID 163742592
2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 163623400
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155465513
2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline
CID 163717674
4-(4-phenylphenyl)-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylquinazoline
CID 140962173
4-(4-phenylphenyl)-2-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylquinazoline
CID 153357768
4,6-diphenyl-2-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2-(4-phenylphenyl)-4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylquinazoline;4-(4-phenylphenyl)-2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylquinazoline
CID 159241281
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-chrysen-3-yl-4-phenyl-6-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazine
CID 170259799

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline?
The IUPAC name of 2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline (CID 163651714) is 2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline.
What is the SMILES notation for 2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline?
The canonical SMILES for 2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline is CC1(C)c2ccccc2-c2cc(-c3cccc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)ccc2C1(C)C.CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)ccc2C1(C)C.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc2C1(C)C.
What is the InChIKey of 2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline?
The InChIKey is IMTXIPXRAAZJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3.C37H31N3.C32H28N2/c1-42(2)37-24-12-11-19-34(37)36-27-30(25-26-38(36)43(42,3)4)31-20-13-22-33-32(31)21-14-23-35(33)41-45-39(28-15-7-5-8-16-28)44-40(46-41)29-17-9-6-10-18-29;1-36(2)31-17-11-10-16-29(31)30-23-28(20-21-32(30)37(36,3)4)35-39-33(25-13-6-5-7-14-25)38-34(40-35)27-19-18-24-12-8-9-15-26(24)22-27;1-31(2)26-16-10-8-14-23(26)24-19-18-22(20-27(24)32(31,3)4)30-33-28-17-11-9-15-25(28)29(34-30)21-12-6-5-7-13-21/h5-27H,1-4H3;5-23H,1-4H3;5-20H,1-4H3.
What are the key properties of 2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline?
2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline has a molecular weight of 1552.04 g/mol, XLogP of 28.39, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline is sourced from PubChem (CID 163651714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).