carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane

C91H65BClN6O2- — CID 157220347

IUPACcarbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)C2(c4ccccc4-3)c3cccc4ccc5cccc2c5c34)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.[CH3-].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cccc5ccc6cccc3c6c45)n2)cc1
InChIInChI=1S/C42H25N3.C33H27BO2.C15H10ClN3.CH3/c1-3-11-28(12-4-1)39-43-40(29-13-5-2-6-14-29)45-41(44-39)30-23-24-32-31-17-7-8-18-33(31)42(36(32)25-30)34-19-9-15-26-21-22-27-16-10-20-35(42)38(27)37(26)34;1-31(2)32(3,4)36-34(35-31)22-17-18-24-23-11-5-6-12-25(23)33(28(24)19-22)26-13-7-9-20-15-16-21-10-8-14-27(33)30(21)29(20)26;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;/h1-25H;5-19H,1-4H3;1-10H;1H3/q;;;-1
InChIKeyASXIYLRUJZESNU-UHFFFAOYSA-N
MW1320.83 g/mol
LogP21.13
Rot. Bonds6

About carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane

carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane (PubChem CID 157220347) has the molecular formula C91H65BClN6O2- and a molecular weight of 1320.83 g/mol. Its IUPAC name is carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Namecarbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane
PubChem CID157220347
Molecular FormulaC91H65BClN6O2-
Molecular Weight1320.83 g/mol
Exact Mass1319.50
IUPAC Namecarbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)C2(c4ccccc4-3)c3cccc4ccc5cccc2c5c34)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.[CH3-].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cccc5ccc6cccc3c6c45)n2)cc1
InChIInChI=1S/C42H25N3.C33H27BO2.C15H10ClN3.CH3/c1-3-11-28(12-4-1)39-43-40(29-13-5-2-6-14-29)45-41(44-39)30-23-24-32-31-17-7-8-18-33(31)42(36(32)25-30)34-19-9-15-26-21-22-27-16-10-20-35(42)38(27)37(26)34;1-31(2)32(3,4)36-34(35-31)22-17-18-24-23-11-5-6-12-25(23)33(28(24)19-22)26-13-7-9-20-15-16-21-10-8-14-27(33)30(21)29(20)26;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;/h1-25H;5-19H,1-4H3;1-10H;1H3/q;;;-1
InChIKeyASXIYLRUJZESNU-UHFFFAOYSA-N
XLogP21.13
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001320.83
LogP ≤ 521.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)9,9'-spirobi[fluorene]
CID 58827727
2-(9,9-Dimethylfluoren-2-yl)-4-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 162486341
2-(9,9-Diethylfluoren-2-yl)-4-[4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazine
CID 101847586
2-[4,6-Bis(9,9-diethylfluoren-2-yl)-1,3,5-triazin-2-yl]-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine
CID 101847588
2-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 20652069
2-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 20652071
2-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-diethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 23526209
2-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)-12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16(21),17,19,23-undecaenyl]-4,6-diphenyl-1,3,5-triazine
CID 57913613
2,4-Bis(4-phenylphenyl)-6-(5,5,15,15-tetramethyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,25,27-tridecaenyl)-1,3,5-triazine
CID 57913624
2,4-Bis(4-phenylphenyl)-6-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-1,3,5-triazine
CID 57913637
2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)-12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl]-4,6-diphenyl-1,3,5-triazine
CID 57913661
2,4-Diphenyl-6-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)-1,3,5-triazine
CID 57913668

Frequently Asked Questions

What is the IUPAC name of carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane?
The IUPAC name of carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane (CID 157220347) is carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane.
What is the SMILES notation for carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane?
The canonical SMILES for carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(c2)C2(c4ccccc4-3)c3cccc4ccc5cccc2c5c34)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.[CH3-].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cccc5ccc6cccc3c6c45)n2)cc1.
What is the InChIKey of carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane?
The InChIKey is ASXIYLRUJZESNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3.C33H27BO2.C15H10ClN3.CH3/c1-3-11-28(12-4-1)39-43-40(29-13-5-2-6-14-29)45-41(44-39)30-23-24-32-31-17-7-8-18-33(31)42(36(32)25-30)34-19-9-15-26-21-22-27-16-10-20-35(42)38(27)37(26)34;1-31(2)32(3,4)36-34(35-31)22-17-18-24-23-11-5-6-12-25(23)33(28(24)19-22)26-13-7-9-20-15-16-21-10-8-14-27(33)30(21)29(20)26;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;/h1-25H;5-19H,1-4H3;1-10H;1H3/q;;;-1.
What are the key properties of carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane?
carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane has a molecular weight of 1320.83 g/mol, XLogP of 21.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;4,4,5,5-tetramethyl-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-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 157220347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).