2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

C100H70BBrN14O2 — CID 157082281

IUPAC2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2nc3ccccc3c3nc4ccccc4n23)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc5ccccc5c5nc6ccccc6n45)cc3)n2)cc1
InChIInChI=1S/C47H29N7.C32H27BN4O2.C21H14BrN3/c1-3-13-31(14-4-1)43-50-44(32-15-5-2-6-16-32)52-45(51-43)33-25-23-30(24-26-33)34-27-28-41-37(29-34)35-17-8-11-21-40(35)53(41)47-49-38-19-9-7-18-36(38)46-48-39-20-10-12-22-42(39)54(46)47;1-31(2)32(3,4)39-33(38-31)20-17-18-27-23(19-20)21-11-6-9-15-26(21)36(27)30-35-24-13-7-5-12-22(24)29-34-25-14-8-10-16-28(25)37(29)30;22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-29H;5-19H,1-4H3;1-14H
InChIKeyADROJXYKUGXNQU-UHFFFAOYSA-N
MW1590.47 g/mol
LogP23.05
Rot. Bonds10

About 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 157082281) has the molecular formula C100H70BBrN14O2 and a molecular weight of 1590.47 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID157082281
Molecular FormulaC100H70BBrN14O2
Molecular Weight1590.47 g/mol
Exact Mass1588.51
IUPAC Name2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2nc3ccccc3c3nc4ccccc4n23)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc5ccccc5c5nc6ccccc6n45)cc3)n2)cc1
InChIInChI=1S/C47H29N7.C32H27BN4O2.C21H14BrN3/c1-3-13-31(14-4-1)43-50-44(32-15-5-2-6-16-32)52-45(51-43)33-25-23-30(24-26-33)34-27-28-41-37(29-34)35-17-8-11-21-40(35)53(41)47-49-38-19-9-7-18-36(38)46-48-39-20-10-12-22-42(39)54(46)47;1-31(2)32(3,4)39-33(38-31)20-17-18-27-23(19-20)21-11-6-9-15-26(21)36(27)30-35-24-13-7-5-12-22(24)29-34-25-14-8-10-16-28(25)37(29)30;22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-29H;5-19H,1-4H3;1-14H
InChIKeyADROJXYKUGXNQU-UHFFFAOYSA-N
XLogP23.05
TPSA166.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001590.47
LogP ≤ 523.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline with MolForge

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Related Compounds

6-[6-Indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline
CID 168338717
6-[3,5-Bis(2-phenylbenzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-2-phenylbenzimidazolo[1,2-c]quinazoline
CID 58894963
6-[3-[4-[[4-[2-(Benzimidazolo[1,2-c]quinazolin-6-yl)-3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]phenyl]-3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazolin-10-yl]benzimidazolo[1,2-c]quinazoline
CID 123477782
5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine
CID 123885394
24-[4-(4-Phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene
CID 129127898
2-[3-[4-[4-[11-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134513502
3-[10-[7-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenanthren-3-yl]-6-[10-[6-[6-(10-naphthalen-2-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazolin-3-yl]naphthalen-1-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 134513512
2-[10-[4-[11-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134513581
2-[4-[4-[3-[7-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]-6-[10-[3-[4-[4-[6-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazolin-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 134513614
2-[7-[4-[9-(Benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-3-yl]phenyl]benzo[c]carbazol-11-yl]-6-[3-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134513718
1-[3-[4-[11-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134513736
1-[3-[4-[11-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134513737

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (CID 157082281) is 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is Brc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2nc3ccccc3c3nc4ccccc4n23)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc5ccccc5c5nc6ccccc6n45)cc3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is ADROJXYKUGXNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N7.C32H27BN4O2.C21H14BrN3/c1-3-13-31(14-4-1)43-50-44(32-15-5-2-6-16-32)52-45(51-43)33-25-23-30(24-26-33)34-27-28-41-37(29-34)35-17-8-11-21-40(35)53(41)47-49-38-19-9-7-18-36(38)46-48-39-20-10-12-22-42(39)54(46)47;1-31(2)32(3,4)39-33(38-31)20-17-18-27-23(19-20)21-11-6-9-15-26(21)36(27)30-35-24-13-7-5-12-22(24)29-34-25-14-8-10-16-28(25)37(29)30;22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-29H;5-19H,1-4H3;1-14H.
What are the key properties of 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 1590.47 g/mol, XLogP of 23.05, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 157082281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).