9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole

C74H54N4 — CID 151218968

IUPAC9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)c1
InChIInChI=1S/C74H54N4/c1-47-19-11-15-27-60(47)53-31-35-70-64(41-53)65-42-54(61-28-16-12-20-48(61)2)32-36-71(65)77(70)58-39-57(74-75-68(51-23-7-5-8-24-51)46-69(76-74)52-25-9-6-10-26-52)40-59(45-58)78-72-37-33-55(62-29-17-13-21-49(62)3)43-66(72)67-44-56(34-38-73(67)78)63-30-18-14-22-50(63)4/h5-46H,1-4H3
InChIKeyNLWDRBJLRQVBPA-UHFFFAOYSA-N
MW999.27 g/mol
LogP19.57
Rot. Bonds9

About 9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole

9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole (PubChem CID 151218968) has the molecular formula C74H54N4 and a molecular weight of 999.27 g/mol. Its IUPAC name is 9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole
PubChem CID151218968
Molecular FormulaC74H54N4
Molecular Weight999.27 g/mol
Exact Mass998.43
IUPAC Name9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)c1
InChIInChI=1S/C74H54N4/c1-47-19-11-15-27-60(47)53-31-35-70-64(41-53)65-42-54(61-28-16-12-20-48(61)2)32-36-71(65)77(70)58-39-57(74-75-68(51-23-7-5-8-24-51)46-69(76-74)52-25-9-6-10-26-52)40-59(45-58)78-72-37-33-55(62-29-17-13-21-49(62)3)43-66(72)67-44-56(34-38-73(67)78)63-30-18-14-22-50(63)4/h5-46H,1-4H3
InChIKeyNLWDRBJLRQVBPA-UHFFFAOYSA-N
XLogP19.57
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.27
LogP ≤ 519.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 88530509
3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 152543561
9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole
CID 152615807
9-[3-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 151402945
3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 155380099
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 155463281
3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 126730487
3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 159040999
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole
CID 151236642
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole
CID 163429920
3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 152589988

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole?
The IUPAC name of 9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole (CID 151218968) is 9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole.
What is the SMILES notation for 9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole?
The canonical SMILES for 9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole is Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)c1.
What is the InChIKey of 9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole?
The InChIKey is NLWDRBJLRQVBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H54N4/c1-47-19-11-15-27-60(47)53-31-35-70-64(41-53)65-42-54(61-28-16-12-20-48(61)2)32-36-71(65)77(70)58-39-57(74-75-68(51-23-7-5-8-24-51)46-69(76-74)52-25-9-6-10-26-52)40-59(45-58)78-72-37-33-55(62-29-17-13-21-49(62)3)43-66(72)67-44-56(34-38-73(67)78)63-30-18-14-22-50(63)4/h5-46H,1-4H3.
What are the key properties of 9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole?
9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole has a molecular weight of 999.27 g/mol, XLogP of 19.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole is sourced from PubChem (CID 151218968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).