9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole

C112H82N4 — CID 134237011

IUPAC9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3n4-c3cccc(-c4cc(-c5cccc(-c6ccccc6-c6ccccc6)c5)nc(-n5c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6c6cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc65)n4)c3)cc21
InChIInChI=1S/C112H82N4/c1-109(2)94-36-18-14-32-82(94)86-48-40-72(62-98(86)109)68-44-52-104-90(58-68)91-59-69(73-41-49-87-83-33-15-19-37-95(83)110(3,4)99(87)63-73)45-53-105(91)115(104)79-29-23-28-78(57-79)103-66-102(77-27-22-26-76(56-77)81-31-13-12-30-80(81)67-24-10-9-11-25-67)113-108(114-103)116-106-54-46-70(74-42-50-88-84-34-16-20-38-96(84)111(5,6)100(88)64-74)60-92(106)93-61-71(47-55-107(93)116)75-43-51-89-85-35-17-21-39-97(85)112(7,8)101(89)65-75/h9-66H,1-8H3
InChIKeyBJSYQAYBCIKBNZ-UHFFFAOYSA-N
MW1483.92 g/mol
LogP29.23
Rot. Bonds10

About 9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole

9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole (PubChem CID 134237011) has the molecular formula C112H82N4 and a molecular weight of 1483.92 g/mol. Its IUPAC name is 9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole.

Molecular Properties

Compound Name9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole
PubChem CID134237011
Molecular FormulaC112H82N4
Molecular Weight1483.92 g/mol
Exact Mass1482.65
IUPAC Name9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3n4-c3cccc(-c4cc(-c5cccc(-c6ccccc6-c6ccccc6)c5)nc(-n5c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6c6cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc65)n4)c3)cc21
InChIInChI=1S/C112H82N4/c1-109(2)94-36-18-14-32-82(94)86-48-40-72(62-98(86)109)68-44-52-104-90(58-68)91-59-69(73-41-49-87-83-33-15-19-37-95(83)110(3,4)99(87)63-73)45-53-105(91)115(104)79-29-23-28-78(57-79)103-66-102(77-27-22-26-76(56-77)81-31-13-12-30-80(81)67-24-10-9-11-25-67)113-108(114-103)116-106-54-46-70(74-42-50-88-84-34-16-20-38-96(84)111(5,6)100(88)64-74)60-92(106)93-61-71(47-55-107(93)116)75-43-51-89-85-35-17-21-39-97(85)112(7,8)101(89)65-75/h9-66H,1-8H3
InChIKeyBJSYQAYBCIKBNZ-UHFFFAOYSA-N
XLogP29.23
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001483.92
LogP ≤ 529.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134237084
5-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 121465317
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236850
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
5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 134237091
5-[3-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265309
3-[9-[4-[3-(3,4-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 134236674
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
3-[9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole
CID 160991667

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole?
The IUPAC name of 9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole (CID 134237011) is 9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole.
What is the SMILES notation for 9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole?
The canonical SMILES for 9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3n4-c3cccc(-c4cc(-c5cccc(-c6ccccc6-c6ccccc6)c5)nc(-n5c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6c6cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc65)n4)c3)cc21.
What is the InChIKey of 9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole?
The InChIKey is BJSYQAYBCIKBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H82N4/c1-109(2)94-36-18-14-32-82(94)86-48-40-72(62-98(86)109)68-44-52-104-90(58-68)91-59-69(73-41-49-87-83-33-15-19-37-95(83)110(3,4)99(87)63-73)45-53-105(91)115(104)79-29-23-28-78(57-79)103-66-102(77-27-22-26-76(56-77)81-31-13-12-30-80(81)67-24-10-9-11-25-67)113-108(114-103)116-106-54-46-70(74-42-50-88-84-34-16-20-38-96(84)111(5,6)100(88)64-74)60-92(106)93-61-71(47-55-107(93)116)75-43-51-89-85-35-17-21-39-97(85)112(7,8)101(89)65-75/h9-66H,1-8H3.
What are the key properties of 9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole?
9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole has a molecular weight of 1483.92 g/mol, XLogP of 29.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole is sourced from PubChem (CID 134237011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).