11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene

C126H92B2N8O2 — CID 164958458

IUPAC11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene
SMILESCc1cc2c3c(c1)N(c1ccccc1)c1ccccc1B3c1ccccc1N2c1ccccc1.Cc1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1nc(-c2ccccc2)c2c(ccc3ccccc32)n1.Cc1nc(-c2ccccc2)c2cc3ccccc3cc2n1.Cc1nc(-c2ccccc2)c2ccc3ccccc3c2n1
InChIInChI=1S/C31H23BN2.C19H13BO2.3C19H14N2.C19H14/c1-22-20-29-31-30(21-22)34(24-14-6-3-7-15-24)28-19-11-9-17-26(28)32(31)25-16-8-10-18-27(25)33(29)23-12-4-2-5-13-23;1-12-10-17-19-18(11-12)22-16-9-5-3-7-14(16)20(19)13-6-2-4-8-15(13)21-17;1-13-20-17-12-11-14-7-5-6-10-16(14)18(17)19(21-13)15-8-3-2-4-9-15;1-13-20-18(15-8-3-2-4-9-15)17-12-11-14-7-5-6-10-16(14)19(17)21-13;1-13-20-18-12-16-10-6-5-9-15(16)11-17(18)19(21-13)14-7-3-2-4-8-14;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13/h2-21H,1H3;2-11H,1H3;3*2-12H,1H3;2-12H,1H3
InChIKeyBMOBLLWLFUXBAA-UHFFFAOYSA-N
MW1771.80 g/mol
LogP28.53
Rot. Bonds5

About 11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene

11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene (PubChem CID 164958458) has the molecular formula C126H92B2N8O2 and a molecular weight of 1771.80 g/mol. Its IUPAC name is 11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene.

Molecular Properties

Compound Name11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene
PubChem CID164958458
Molecular FormulaC126H92B2N8O2
Molecular Weight1771.80 g/mol
Exact Mass1770.75
IUPAC Name11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene
SMILESCc1cc2c3c(c1)N(c1ccccc1)c1ccccc1B3c1ccccc1N2c1ccccc1.Cc1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1nc(-c2ccccc2)c2c(ccc3ccccc32)n1.Cc1nc(-c2ccccc2)c2cc3ccccc3cc2n1.Cc1nc(-c2ccccc2)c2ccc3ccccc3c2n1
InChIInChI=1S/C31H23BN2.C19H13BO2.3C19H14N2.C19H14/c1-22-20-29-31-30(21-22)34(24-14-6-3-7-15-24)28-19-11-9-17-26(28)32(31)25-16-8-10-18-27(25)33(29)23-12-4-2-5-13-23;1-12-10-17-19-18(11-12)22-16-9-5-3-7-14(16)20(19)13-6-2-4-8-15(13)21-17;1-13-20-17-12-11-14-7-5-6-10-16(14)18(17)19(21-13)15-8-3-2-4-9-15;1-13-20-18(15-8-3-2-4-9-15)17-12-11-14-7-5-6-10-16(14)19(17)21-13;1-13-20-18-12-16-10-6-5-9-15(16)11-17(18)19(21-13)14-7-3-2-4-8-14;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13/h2-21H,1H3;2-11H,1H3;3*2-12H,1H3;2-12H,1H3
InChIKeyBMOBLLWLFUXBAA-UHFFFAOYSA-N
XLogP28.53
TPSA102.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001771.80
LogP ≤ 528.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene with MolForge

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Related Compounds

2-(3,5-Dimethoxy-2-methylphenyl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylphenyl)benzo[g]quinazolin-3-ium;1-methyl-2-(2-methylphenyl)-7-(trifluoromethyl)benzo[g]quinazolin-1-ium;3-methyl-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium
CID 158313754
2,9-Diphenyl-3,8-bis(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-1,10-phenanthroline;2,4-diphenyl-6-[10-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)anthracen-9-yl]-1,3,5-triazine;5-methyl-11,17-bis(trifluoromethyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 158404943
10-[3,7-Bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine
CID 129290634
10-[3,7-Bis(4,6-diphenylpyrimidin-2-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine
CID 129290638
10-[4,8-Bis(2,6-diphenylpyrimidin-4-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine
CID 129290656
10-[4,8-Bis(4,6-diphenylpyrimidin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine
CID 129290658
10-[5,7-Bis(2,6-diphenylpyrimidin-4-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine
CID 129290697
10-[5,7-Bis(4,6-diphenylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine
CID 129290698
10-[3-Phenoxazin-10-yl-5,7-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine
CID 129290702
10-[3-Phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290703
10-[5,7-Bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine
CID 129290704
10-[3-Phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine
CID 129290706

Frequently Asked Questions

What is the IUPAC name of 11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene?
The IUPAC name of 11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene (CID 164958458) is 11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene.
What is the SMILES notation for 11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene?
The canonical SMILES for 11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene is Cc1cc2c3c(c1)N(c1ccccc1)c1ccccc1B3c1ccccc1N2c1ccccc1.Cc1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1nc(-c2ccccc2)c2c(ccc3ccccc32)n1.Cc1nc(-c2ccccc2)c2cc3ccccc3cc2n1.Cc1nc(-c2ccccc2)c2ccc3ccccc3c2n1.
What is the InChIKey of 11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene?
The InChIKey is BMOBLLWLFUXBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23BN2.C19H13BO2.3C19H14N2.C19H14/c1-22-20-29-31-30(21-22)34(24-14-6-3-7-15-24)28-19-11-9-17-26(28)32(31)25-16-8-10-18-27(25)33(29)23-12-4-2-5-13-23;1-12-10-17-19-18(11-12)22-16-9-5-3-7-14(16)20(19)13-6-2-4-8-15(13)21-17;1-13-20-17-12-11-14-7-5-6-10-16(14)18(17)19(21-13)15-8-3-2-4-9-15;1-13-20-18(15-8-3-2-4-9-15)17-12-11-14-7-5-6-10-16(14)19(17)21-13;1-13-20-18-12-16-10-6-5-9-15(16)11-17(18)19(21-13)14-7-3-2-4-8-14;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13/h2-21H,1H3;2-11H,1H3;3*2-12H,1H3;2-12H,1H3.
What are the key properties of 11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene?
11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene has a molecular weight of 1771.80 g/mol, XLogP of 28.53, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-methyl-1-phenylbenzo[f]quinazoline;2-methyl-4-phenylbenzo[g]quinazoline;2-methyl-4-phenylbenzo[h]quinazoline;2-methyltriphenylene is sourced from PubChem (CID 164958458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).