2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine

C88H62BClN6O2 — CID 157387666

IUPAC2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)OB(c2ccc3ccc4ccc5ccccc5c4c3c2)OC1(C)C.Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccc6ccc7ccccc7c6c5c4)n3)ccc2c1
InChIInChI=1S/C41H25N3.C24H23BO2.C23H14ClN3/c1-3-10-31-23-33(20-13-26(31)7-1)39-42-40(34-21-14-27-8-2-4-11-32(27)24-34)44-41(43-39)35-22-17-29-16-19-30-18-15-28-9-5-6-12-36(28)38(30)37(29)25-35;1-23(2)24(3,4)27-25(26-23)19-14-13-17-10-12-18-11-9-16-7-5-6-8-20(16)22(18)21(17)15-19;24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20/h1-25H;5-15H,1-4H3;1-14H
InChIKeyBLPUCOJHCDVZQE-UHFFFAOYSA-N
MW1281.77 g/mol
LogP22.25
Rot. Bonds6

About 2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 157387666) has the molecular formula C88H62BClN6O2 and a molecular weight of 1281.77 g/mol. Its IUPAC name is 2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID157387666
Molecular FormulaC88H62BClN6O2
Molecular Weight1281.77 g/mol
Exact Mass1280.47
IUPAC Name2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)OB(c2ccc3ccc4ccc5ccccc5c4c3c2)OC1(C)C.Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccc6ccc7ccccc7c6c5c4)n3)ccc2c1
InChIInChI=1S/C41H25N3.C24H23BO2.C23H14ClN3/c1-3-10-31-23-33(20-13-26(31)7-1)39-42-40(34-21-14-27-8-2-4-11-32(27)24-34)44-41(43-39)35-22-17-29-16-19-30-18-15-28-9-5-6-12-36(28)38(30)37(29)25-35;1-23(2)24(3,4)27-25(26-23)19-14-13-17-10-12-18-11-9-16-7-5-6-8-20(16)22(18)21(17)15-19;24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20/h1-25H;5-15H,1-4H3;1-14H
InChIKeyBLPUCOJHCDVZQE-UHFFFAOYSA-N
XLogP22.25
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001281.77
LogP ≤ 522.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2,4,6-Tris[4-(naphthalen-1-yl)phenyl]-1,3,5-triazine
CID 69407532
2,4-Bis(3-anthracen-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 101520682
2,4-Bis(3-anthracen-9-ylphenyl)-6-(4-anthracen-9-ylphenyl)-1,3,5-triazine
CID 101520684
2,4-Diphenyl-6-[3-(2-triphenylenyl)phenyl]-1,3,5-triazine
CID 118014055
2,4-Diphenyl-6-[4'-(2-triphenylenyl)[1,1'-biphenyl]-3-yl]-1,3,5-triazine
CID 118487435
2,4-Di(biphenyl-4-yl)-6-(3-(4,4,5,5-tetramethyl1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine
CID 123987767
2-Chloro-4,6-di(naphthalen-2-yl)-1,3,5-triazine
CID 59365884
2-[4-[2-[10-[2-[4-[4,6-Bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 88981031
2-[8-[4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-yl]-3,6-dicyclohexylpyren-1-yl]-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 90293295
2,4-Diphenyl-6-(3'-(triphenylen-2-yl)-[1,1'-biphenyl]-3-yl)-1,3,5-triazine
CID 117951567
2-(4-Fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 118075082
2-Phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 118075091

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 157387666) is 2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine is CC1(C)OB(c2ccc3ccc4ccc5ccccc5c4c3c2)OC1(C)C.Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccc6ccc7ccccc7c6c5c4)n3)ccc2c1.
What is the InChIKey of 2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is BLPUCOJHCDVZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3.C24H23BO2.C23H14ClN3/c1-3-10-31-23-33(20-13-26(31)7-1)39-42-40(34-21-14-27-8-2-4-11-32(27)24-34)44-41(43-39)35-22-17-29-16-19-30-18-15-28-9-5-6-12-36(28)38(30)37(29)25-35;1-23(2)24(3,4)27-25(26-23)19-14-13-17-10-12-18-11-9-16-7-5-6-8-20(16)22(18)21(17)15-19;24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20/h1-25H;5-15H,1-4H3;1-14H.
What are the key properties of 2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 1281.77 g/mol, XLogP of 22.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]phenanthren-2-yl-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-benzo[c]phenanthren-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 157387666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).