3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole

C118H75BrN14 — CID 158066978

IUPAC3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc7c(ccn7-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c65)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4ccc5c6[nH]c7ccccc7c6ccc54)ccc32)cc1
InChIInChI=1S/C59H37N7.C32H21N3.C27H17BrN4/c1-4-16-38(17-5-1)57-60-58(39-18-6-2-7-19-39)62-59(61-57)66-53-27-15-12-24-45(53)49-37-42(29-32-55(49)66)65-52-26-14-10-22-43(52)46-30-33-50-47(56(46)65)34-35-63(50)41-28-31-54-48(36-41)44-23-11-13-25-51(44)64(54)40-20-8-3-9-21-40;1-2-8-21(9-3-1)35-30-13-7-5-11-24(30)27-20-22(14-16-31(27)35)34-19-18-26-29(34)17-15-25-23-10-4-6-12-28(23)33-32(25)26;28-20-15-16-24-22(17-20)21-13-7-8-14-23(21)32(24)27-30-25(18-9-3-1-4-10-18)29-26(31-27)19-11-5-2-6-12-19/h1-37H;1-20,33H;1-17H
InChIKeyFLIRRMXOXSISLF-UHFFFAOYSA-N
MW1768.90 g/mol
LogP29.87
Rot. Bonds11

About 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole

3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole (PubChem CID 158066978) has the molecular formula C118H75BrN14 and a molecular weight of 1768.90 g/mol. Its IUPAC name is 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole
PubChem CID158066978
Molecular FormulaC118H75BrN14
Molecular Weight1768.90 g/mol
Exact Mass1766.55
IUPAC Name3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc7c(ccn7-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c65)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4ccc5c6[nH]c7ccccc7c6ccc54)ccc32)cc1
InChIInChI=1S/C59H37N7.C32H21N3.C27H17BrN4/c1-4-16-38(17-5-1)57-60-58(39-18-6-2-7-19-39)62-59(61-57)66-53-27-15-12-24-45(53)49-37-42(29-32-55(49)66)65-52-26-14-10-22-43(52)46-30-33-50-47(56(46)65)34-35-63(50)41-28-31-54-48(36-41)44-23-11-13-25-51(44)64(54)40-20-8-3-9-21-40;1-2-8-21(9-3-1)35-30-13-7-5-11-24(30)27-20-22(14-16-31(27)35)34-19-18-26-29(34)17-15-25-23-10-4-6-12-28(23)33-32(25)26;28-20-15-16-24-22(17-20)21-13-7-8-14-23(21)32(24)27-30-25(18-9-3-1-4-10-18)29-26(31-27)19-11-5-2-6-12-19/h1-37H;1-20,33H;1-17H
InChIKeyFLIRRMXOXSISLF-UHFFFAOYSA-N
XLogP29.87
TPSA127.64 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001768.90
LogP ≤ 529.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole?
The IUPAC name of 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole (CID 158066978) is 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole is Brc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc7c(ccn7-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c65)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4ccc5c6[nH]c7ccccc7c6ccc54)ccc32)cc1.
What is the InChIKey of 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole?
The InChIKey is FLIRRMXOXSISLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N7.C32H21N3.C27H17BrN4/c1-4-16-38(17-5-1)57-60-58(39-18-6-2-7-19-39)62-59(61-57)66-53-27-15-12-24-45(53)49-37-42(29-32-55(49)66)65-52-26-14-10-22-43(52)46-30-33-50-47(56(46)65)34-35-63(50)41-28-31-54-48(36-41)44-23-11-13-25-51(44)64(54)40-20-8-3-9-21-40;1-2-8-21(9-3-1)35-30-13-7-5-11-24(30)27-20-22(14-16-31(27)35)34-19-18-26-29(34)17-15-25-23-10-4-6-12-28(23)33-32(25)26;28-20-15-16-24-22(17-20)21-13-7-8-14-23(21)32(24)27-30-25(18-9-3-1-4-10-18)29-26(31-27)19-11-5-2-6-12-19/h1-37H;1-20,33H;1-17H.
What are the key properties of 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole?
3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole has a molecular weight of 1768.90 g/mol, XLogP of 29.87, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole;3-(9-phenylcarbazol-3-yl)-10H-pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 158066978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).