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

C123H74N10O — CID 126632674

IUPAC9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)ccc32)cc1
InChIInChI=1S/C123H74N10O/c1-5-25-85(26-6-1)127-105-39-19-13-33-89(105)95-65-75(45-55-110(95)127)80-50-60-115-100(70-80)101-71-81(76-46-56-111-96(66-76)90-34-14-20-40-106(90)128(111)86-27-7-2-8-28-86)51-61-116(101)132(115)122-124-121(131-109-43-23-17-37-93(109)99-69-79(49-59-114(99)131)84-54-64-120-104(74-84)94-38-18-24-44-119(94)134-120)125-123(126-122)133-117-62-52-82(77-47-57-112-97(67-77)91-35-15-21-41-107(91)129(112)87-29-9-3-10-30-87)72-102(117)103-73-83(53-63-118(103)133)78-48-58-113-98(68-78)92-36-16-22-42-108(92)130(113)88-31-11-4-12-32-88/h1-74H
InChIKeyFERSULAAZYIQSH-UHFFFAOYSA-N
MW1708.01 g/mol
LogP31.79
Rot. Bonds12

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

9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 126632674) has the molecular formula C123H74N10O and a molecular weight of 1708.01 g/mol. Its IUPAC name is 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID126632674
Molecular FormulaC123H74N10O
Molecular Weight1708.01 g/mol
Exact Mass1706.60
IUPAC Name9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)ccc32)cc1
InChIInChI=1S/C123H74N10O/c1-5-25-85(26-6-1)127-105-39-19-13-33-89(105)95-65-75(45-55-110(95)127)80-50-60-115-100(70-80)101-71-81(76-46-56-111-96(66-76)90-34-14-20-40-106(90)128(111)86-27-7-2-8-28-86)51-61-116(101)132(115)122-124-121(131-109-43-23-17-37-93(109)99-69-79(49-59-114(99)131)84-54-64-120-104(74-84)94-38-18-24-44-119(94)134-120)125-123(126-122)133-117-62-52-82(77-47-57-112-97(67-77)91-35-15-21-41-107(91)129(112)87-29-9-3-10-30-87)72-102(117)103-73-83(53-63-118(103)133)78-48-58-113-98(68-78)92-36-16-22-42-108(92)130(113)88-31-11-4-12-32-88/h1-74H
InChIKeyFERSULAAZYIQSH-UHFFFAOYSA-N
XLogP31.79
TPSA86.32 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001708.01
LogP ≤ 531.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Related Compounds

9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632665
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
7-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632893
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632681
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154464
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 126632674) is 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4nc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)ccc32)cc1.
What is the InChIKey of 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is FERSULAAZYIQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C123H74N10O/c1-5-25-85(26-6-1)127-105-39-19-13-33-89(105)95-65-75(45-55-110(95)127)80-50-60-115-100(70-80)101-71-81(76-46-56-111-96(66-76)90-34-14-20-40-106(90)128(111)86-27-7-2-8-28-86)51-61-116(101)132(115)122-124-121(131-109-43-23-17-37-93(109)99-69-79(49-59-114(99)131)84-54-64-120-104(74-84)94-38-18-24-44-119(94)134-120)125-123(126-122)133-117-62-52-82(77-47-57-112-97(67-77)91-35-15-21-41-107(91)129(112)87-29-9-3-10-30-87)72-102(117)103-73-83(53-63-118(103)133)78-48-58-113-98(68-78)92-36-16-22-42-108(92)130(113)88-31-11-4-12-32-88/h1-74H.
What are the key properties of 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 1708.01 g/mol, XLogP of 31.79, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 126632674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).