3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole

C61H42N4 — CID 67678505

IUPAC3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-c5ccccc5)n4)c3)cc21
InChIInChI=1S/C61H42N4/c1-61(2)52-25-13-9-21-46(52)47-31-29-41(37-53(47)61)43-33-42(40-30-32-58-51(36-40)50-24-12-14-26-55(50)64(58)45-19-7-4-8-20-45)34-44(35-43)54-38-59(63-60(62-54)39-17-5-3-6-18-39)65-56-27-15-10-22-48(56)49-23-11-16-28-57(49)65/h3-38H,1-2H3
InChIKeyIDCSBGQXWOUFFC-UHFFFAOYSA-N
MW831.04 g/mol
LogP15.65
Rot. Bonds6

About 3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole

3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 67678505) has the molecular formula C61H42N4 and a molecular weight of 831.04 g/mol. Its IUPAC name is 3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
PubChem CID67678505
Molecular FormulaC61H42N4
Molecular Weight831.04 g/mol
Exact Mass830.34
IUPAC Name3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-c5ccccc5)n4)c3)cc21
InChIInChI=1S/C61H42N4/c1-61(2)52-25-13-9-21-46(52)47-31-29-41(37-53(47)61)43-33-42(40-30-32-58-51(36-40)50-24-12-14-26-55(50)64(58)45-19-7-4-8-20-45)34-44(35-43)54-38-59(63-60(62-54)39-17-5-3-6-18-39)65-56-27-15-10-22-48(56)49-23-11-16-28-57(49)65/h3-38H,1-2H3
InChIKeyIDCSBGQXWOUFFC-UHFFFAOYSA-N
XLogP15.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.04
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 67678590
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
9-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 67678526
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole;9-(4,6-diphenyl-2-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 163711135
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 160723883
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2,6-diphenylpyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223524

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole (CID 67678505) is 3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-c5ccccc5)n4)c3)cc21.
What is the InChIKey of 3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is IDCSBGQXWOUFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N4/c1-61(2)52-25-13-9-21-46(52)47-31-29-41(37-53(47)61)43-33-42(40-30-32-58-51(36-40)50-24-12-14-26-55(50)64(58)45-19-7-4-8-20-45)34-44(35-43)54-38-59(63-60(62-54)39-17-5-3-6-18-39)65-56-27-15-10-22-48(56)49-23-11-16-28-57(49)65/h3-38H,1-2H3.
What are the key properties of 3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole?
3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 831.04 g/mol, XLogP of 15.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 67678505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).