9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole

C198H136N12 — CID 160549549

IUPAC9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c9ccccc9n(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8c7)ccc5n6-c5ccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)cc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c9ccccc9n(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8c7)ccc5n6-c5cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5)cc43)cc21
InChIInChI=1S/2C99H68N6/c1-98(2)85-30-15-11-26-75(85)77-50-46-73(59-87(77)98)104-89-32-17-13-28-79(89)81-48-42-69(57-93(81)104)67-44-52-91-83(55-67)84-56-68(70-43-49-82-80-29-14-18-33-90(80)105(94(82)58-70)74-47-51-78-76-27-12-16-31-86(76)99(3,4)88(78)60-74)45-53-92(84)103(91)72-25-19-24-71(54-72)97-101-95(65-38-34-63(35-39-65)61-20-7-5-8-21-61)100-96(102-97)66-40-36-64(37-41-66)62-22-9-6-10-23-62;1-98(2)85-27-15-11-23-75(85)77-51-47-73(59-87(77)98)104-89-29-17-13-25-79(89)81-49-41-70(57-93(81)104)68-43-53-91-83(55-68)84-56-69(71-42-50-82-80-26-14-18-30-90(80)105(94(82)58-71)74-48-52-78-76-24-12-16-28-86(76)99(3,4)88(78)60-74)44-54-92(84)103(91)72-45-39-67(40-46-72)97-101-95(65-35-31-63(32-36-65)61-19-7-5-8-20-61)100-96(102-97)66-37-33-64(34-38-66)62-21-9-6-10-22-62/h2*5-60H,1-4H3
InChIKeyQXWMCRBNRIHTSF-UHFFFAOYSA-N
MW2683.35 g/mol
LogP50.89
Rot. Bonds20

About 9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole

9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole (PubChem CID 160549549) has the molecular formula C198H136N12 and a molecular weight of 2683.35 g/mol. Its IUPAC name is 9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole.

Molecular Properties

Compound Name9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
PubChem CID160549549
Molecular FormulaC198H136N12
Molecular Weight2683.35 g/mol
Exact Mass2681.10
IUPAC Name9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c9ccccc9n(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8c7)ccc5n6-c5ccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)cc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c9ccccc9n(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8c7)ccc5n6-c5cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5)cc43)cc21
InChIInChI=1S/2C99H68N6/c1-98(2)85-30-15-11-26-75(85)77-50-46-73(59-87(77)98)104-89-32-17-13-28-79(89)81-48-42-69(57-93(81)104)67-44-52-91-83(55-67)84-56-68(70-43-49-82-80-29-14-18-33-90(80)105(94(82)58-70)74-47-51-78-76-27-12-16-31-86(76)99(3,4)88(78)60-74)45-53-92(84)103(91)72-25-19-24-71(54-72)97-101-95(65-38-34-63(35-39-65)61-20-7-5-8-21-61)100-96(102-97)66-40-36-64(37-41-66)62-22-9-6-10-23-62;1-98(2)85-27-15-11-23-75(85)77-51-47-73(59-87(77)98)104-89-29-17-13-25-79(89)81-49-41-70(57-93(81)104)68-43-53-91-83(55-68)84-56-69(71-42-50-82-80-26-14-18-30-90(80)105(94(82)58-71)74-48-52-78-76-24-12-16-28-86(76)99(3,4)88(78)60-74)44-54-92(84)103(91)72-45-39-67(40-46-72)97-101-95(65-35-31-63(32-36-65)61-19-7-5-8-20-61)100-96(102-97)66-37-33-64(34-38-66)62-21-9-6-10-22-62/h2*5-60H,1-4H3
InChIKeyQXWMCRBNRIHTSF-UHFFFAOYSA-N
XLogP50.89
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002683.35
LogP ≤ 550.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole with MolForge

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Related Compounds

2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
11-(9,9-dimethylfluoren-2-yl)-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385363
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole?
The IUPAC name of 9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole (CID 160549549) is 9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole.
What is the SMILES notation for 9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole?
The canonical SMILES for 9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c9ccccc9n(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8c7)ccc5n6-c5ccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)cc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c9ccccc9n(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8c7)ccc5n6-c5cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5)cc43)cc21.
What is the InChIKey of 9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole?
The InChIKey is QXWMCRBNRIHTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C99H68N6/c1-98(2)85-30-15-11-26-75(85)77-50-46-73(59-87(77)98)104-89-32-17-13-28-79(89)81-48-42-69(57-93(81)104)67-44-52-91-83(55-67)84-56-68(70-43-49-82-80-29-14-18-33-90(80)105(94(82)58-70)74-47-51-78-76-27-12-16-31-86(76)99(3,4)88(78)60-74)45-53-92(84)103(91)72-25-19-24-71(54-72)97-101-95(65-38-34-63(35-39-65)61-20-7-5-8-21-61)100-96(102-97)66-40-36-64(37-41-66)62-22-9-6-10-23-62;1-98(2)85-27-15-11-23-75(85)77-51-47-73(59-87(77)98)104-89-29-17-13-25-79(89)81-49-41-70(57-93(81)104)68-43-53-91-83(55-68)84-56-69(71-42-50-82-80-26-14-18-30-90(80)105(94(82)58-71)74-48-52-78-76-24-12-16-28-86(76)99(3,4)88(78)60-74)44-54-92(84)103(91)72-45-39-67(40-46-72)97-101-95(65-35-31-63(32-36-65)61-19-7-5-8-20-61)100-96(102-97)66-37-33-64(34-38-66)62-21-9-6-10-22-62/h2*5-60H,1-4H3.
What are the key properties of 9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole?
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole has a molecular weight of 2683.35 g/mol, XLogP of 50.89, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole is sourced from PubChem (CID 160549549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).