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

C182H126N10 — CID 160991667

IUPAC3-[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
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)cc(-c9ccc(-c%10ccccc%10)cc9)n8)cc7)ccc5n6-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)ccc5n6-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)cc21
InChIInChI=1S/C100H69N5.C82H57N5/c1-99(2)86-27-15-11-23-76(86)78-49-47-74(59-88(78)99)104-93-30-18-14-26-81(93)83-56-70(42-52-95(83)104)72-44-54-97-85(58-72)84-57-71(43-53-96(84)105(97)75-48-50-79-77-24-12-16-28-87(77)100(3,4)89(79)60-75)69-41-51-94-82(55-69)80-25-13-17-29-92(80)103(94)73-45-39-68(40-46-73)98-101-90(66-35-31-64(32-36-66)62-19-7-5-8-20-62)61-91(102-98)67-37-33-65(34-38-67)63-21-9-6-10-22-63;1-81(2)68-27-15-11-23-58(68)60-37-35-56(47-70(60)81)85-74-29-17-13-25-62(74)64-43-52(31-39-76(64)85)54-32-40-77-66(45-54)67-46-55(33-41-78(67)86(77)57-36-38-61-59-24-12-16-28-69(59)82(3,4)71(61)48-57)53-34-42-79-65(44-53)63-26-14-18-30-75(63)87(79)80-83-72(50-19-7-5-8-20-50)49-73(84-80)51-21-9-6-10-22-51/h5-61H,1-4H3;5-49H,1-4H3
InChIKeyTUSBWJHIBIEIMH-UHFFFAOYSA-N
MW2453.08 g/mol
LogP47.10
Rot. Bonds17

About 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

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 (PubChem CID 160991667) has the molecular formula C182H126N10 and a molecular weight of 2453.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID160991667
Molecular FormulaC182H126N10
Molecular Weight2453.08 g/mol
Exact Mass2451.02
IUPAC Name3-[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
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)cc(-c9ccc(-c%10ccccc%10)cc9)n8)cc7)ccc5n6-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)ccc5n6-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)cc21
InChIInChI=1S/C100H69N5.C82H57N5/c1-99(2)86-27-15-11-23-76(86)78-49-47-74(59-88(78)99)104-93-30-18-14-26-81(93)83-56-70(42-52-95(83)104)72-44-54-97-85(58-72)84-57-71(43-53-96(84)105(97)75-48-50-79-77-24-12-16-28-87(77)100(3,4)89(79)60-75)69-41-51-94-82(55-69)80-25-13-17-29-92(80)103(94)73-45-39-68(40-46-73)98-101-90(66-35-31-64(32-36-66)62-19-7-5-8-20-62)61-91(102-98)67-37-33-65(34-38-67)63-21-9-6-10-22-63;1-81(2)68-27-15-11-23-58(68)60-37-35-56(47-70(60)81)85-74-29-17-13-25-62(74)64-43-52(31-39-76(64)85)54-32-40-77-66(45-54)67-46-55(33-41-78(67)86(77)57-36-38-61-59-24-12-16-28-69(59)82(3,4)71(61)48-57)53-34-42-79-65(44-53)63-26-14-18-30-75(63)87(79)80-83-72(50-19-7-5-8-20-50)49-73(84-80)51-21-9-6-10-22-51/h5-61H,1-4H3;5-49H,1-4H3
InChIKeyTUSBWJHIBIEIMH-UHFFFAOYSA-N
XLogP47.10
TPSA81.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms192
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002453.08
LogP ≤ 547.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 157299718
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
CID 137401866
3-[9-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158207100
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;3-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)pyrimidin-4-yl]-9-phenylcarbazole;9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 159446739
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)cc(-c9ccc(-c%10ccccc%10)cc9)n8)cc7)ccc5n6-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)ccc5n6-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)cc21.
What is the InChIKey of 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?
The InChIKey is TUSBWJHIBIEIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H69N5.C82H57N5/c1-99(2)86-27-15-11-23-76(86)78-49-47-74(59-88(78)99)104-93-30-18-14-26-81(93)83-56-70(42-52-95(83)104)72-44-54-97-85(58-72)84-57-71(43-53-96(84)105(97)75-48-50-79-77-24-12-16-28-87(77)100(3,4)89(79)60-75)69-41-51-94-82(55-69)80-25-13-17-29-92(80)103(94)73-45-39-68(40-46-73)98-101-90(66-35-31-64(32-36-66)62-19-7-5-8-20-62)61-91(102-98)67-37-33-65(34-38-67)63-21-9-6-10-22-63;1-81(2)68-27-15-11-23-58(68)60-37-35-56(47-70(60)81)85-74-29-17-13-25-62(74)64-43-52(31-39-76(64)85)54-32-40-77-66(45-54)67-46-55(33-41-78(67)86(77)57-36-38-61-59-24-12-16-28-69(59)82(3,4)71(61)48-57)53-34-42-79-65(44-53)63-26-14-18-30-75(63)87(79)80-83-72(50-19-7-5-8-20-50)49-73(84-80)51-21-9-6-10-22-51/h5-61H,1-4H3;5-49H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2453.08 g/mol, XLogP of 47.10, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160991667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).