9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole

C61H43N3 — CID 67678590

IUPAC9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc(-n4c5ccccc5c5ccccc54)c3)cc21
InChIInChI=1S/C61H43N3/c1-61(2)54-22-12-9-19-50(54)51-34-33-46(38-55(51)61)47-35-48(37-49(36-47)64-58-23-13-10-20-52(58)53-21-11-14-24-59(53)64)57-39-56(44-29-25-42(26-30-44)40-15-5-3-6-16-40)62-60(63-57)45-31-27-43(28-32-45)41-17-7-4-8-18-41/h3-39H,1-2H3
InChIKeyMPQYXVYJNLABHD-UHFFFAOYSA-N
MW818.04 g/mol
LogP15.88
Rot. Bonds7

About 9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole

9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole (PubChem CID 67678590) has the molecular formula C61H43N3 and a molecular weight of 818.04 g/mol. Its IUPAC name is 9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
PubChem CID67678590
Molecular FormulaC61H43N3
Molecular Weight818.04 g/mol
Exact Mass817.35
IUPAC Name9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc(-n4c5ccccc5c5ccccc54)c3)cc21
InChIInChI=1S/C61H43N3/c1-61(2)54-22-12-9-19-50(54)51-34-33-46(38-55(51)61)47-35-48(37-49(36-47)64-58-23-13-10-20-52(58)53-21-11-14-24-59(53)64)57-39-56(44-29-25-42(26-30-44)40-15-5-3-6-16-40)62-60(63-57)45-31-27-43(28-32-45)41-17-7-4-8-18-41/h3-39H,1-2H3
InChIKeyMPQYXVYJNLABHD-UHFFFAOYSA-N
XLogP15.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.04
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 67678526
9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole
CID 67678424
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
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
CID 67678690
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
4-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 140922153
9-[3-dibenzofuran-2-yl-5-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 67678611
5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole (CID 67678590) is 9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc(-n4c5ccccc5c5ccccc54)c3)cc21.
What is the InChIKey of 9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole?
The InChIKey is MPQYXVYJNLABHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3/c1-61(2)54-22-12-9-19-50(54)51-34-33-46(38-55(51)61)47-35-48(37-49(36-47)64-58-23-13-10-20-52(58)53-21-11-14-24-59(53)64)57-39-56(44-29-25-42(26-30-44)40-15-5-3-6-16-40)62-60(63-57)45-31-27-43(28-32-45)41-17-7-4-8-18-41/h3-39H,1-2H3.
What are the key properties of 9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole?
9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole has a molecular weight of 818.04 g/mol, XLogP of 15.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole is sourced from PubChem (CID 67678590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).