5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C104H64N8O — CID 126632822

IUPAC5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8ccccc8c7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8ccccc8c7)ccc65)n4)c3cc21
InChIInChI=1S/C104H64N8O/c1-104(2)87-29-13-7-23-73(87)79-59-85-77-27-11-17-33-92(77)112(98(85)60-88(79)104)103-106-101(110-91-32-16-10-26-76(91)82-55-67(39-47-95(82)110)70-42-50-100-86(58-70)78-28-12-18-34-99(78)113-100)105-102(107-103)111-96-48-40-68(65-37-45-93-80(53-65)74-24-8-14-30-89(74)108(93)71-43-35-61-19-3-5-21-63(61)51-71)56-83(96)84-57-69(41-49-97(84)111)66-38-46-94-81(54-66)75-25-9-15-31-90(75)109(94)72-44-36-62-20-4-6-22-64(62)52-72/h3-60H,1-2H3
InChIKeyMGUABRYSSQFBHM-UHFFFAOYSA-N
MW1441.71 g/mol
LogP26.87
Rot. Bonds8

About 5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 126632822) has the molecular formula C104H64N8O and a molecular weight of 1441.71 g/mol. Its IUPAC name is 5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID126632822
Molecular FormulaC104H64N8O
Molecular Weight1441.71 g/mol
Exact Mass1440.52
IUPAC Name5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8ccccc8c7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8ccccc8c7)ccc65)n4)c3cc21
InChIInChI=1S/C104H64N8O/c1-104(2)87-29-13-7-23-73(87)79-59-85-77-27-11-17-33-92(77)112(98(85)60-88(79)104)103-106-101(110-91-32-16-10-26-76(91)82-55-67(39-47-95(82)110)70-42-50-100-86(58-70)78-28-12-18-34-99(78)113-100)105-102(107-103)111-96-48-40-68(65-37-45-93-80(53-65)74-24-8-14-30-89(74)108(93)71-43-35-61-19-3-5-21-63(61)51-71)56-83(96)84-57-69(41-49-97(84)111)66-38-46-94-81(54-66)75-25-9-15-31-90(75)109(94)72-44-36-62-20-4-6-22-64(62)52-72/h3-60H,1-2H3
InChIKeyMGUABRYSSQFBHM-UHFFFAOYSA-N
XLogP26.87
TPSA76.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001441.71
LogP ≤ 526.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole with MolForge

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Related Compounds

5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632809
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole
CID 140907331
5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632768
5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014138
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
N-[7-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-N,9-diphenylcarbazol-2-amine
CID 126632796
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 166914017
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
9-dibenzofuran-2-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 129312344

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 126632822) is 5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8ccccc8c7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8ccccc8c7)ccc65)n4)c3cc21.
What is the InChIKey of 5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is MGUABRYSSQFBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H64N8O/c1-104(2)87-29-13-7-23-73(87)79-59-85-77-27-11-17-33-92(77)112(98(85)60-88(79)104)103-106-101(110-91-32-16-10-26-76(91)82-55-67(39-47-95(82)110)70-42-50-100-86(58-70)78-28-12-18-34-99(78)113-100)105-102(107-103)111-96-48-40-68(65-37-45-93-80(53-65)74-24-8-14-30-89(74)108(93)71-43-35-61-19-3-5-21-63(61)51-71)56-83(96)84-57-69(41-49-97(84)111)66-38-46-94-81(54-66)75-25-9-15-31-90(75)109(94)72-44-36-62-20-4-6-22-64(62)52-72/h3-60H,1-2H3.
What are the key properties of 5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 1441.71 g/mol, XLogP of 26.87, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 126632822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).