9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole

C46H32N4 — CID 155071269

IUPAC9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole
SMILESC1=CC(c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3-n3c4ccccc4c4ccccc43)n2)=CCC1
InChIInChI=1S/C46H32N4/c1-3-15-31(16-4-1)39-30-40(32-17-5-2-6-18-32)48-46(47-39)38-29-33(49-41-23-11-7-19-34(41)35-20-8-12-24-42(35)49)27-28-45(38)50-43-25-13-9-21-36(43)37-22-10-14-26-44(37)50/h1,3-5,7-30H,2,6H2
InChIKeyYUXOASKWALDMHH-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.74
Rot. Bonds5

About 9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole

9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 155071269) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole
PubChem CID155071269
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole
SMILESC1=CC(c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3-n3c4ccccc4c4ccccc43)n2)=CCC1
InChIInChI=1S/C46H32N4/c1-3-15-31(16-4-1)39-30-40(32-17-5-2-6-18-32)48-46(47-39)38-29-33(49-41-23-11-7-19-34(41)35-20-8-12-24-42(35)49)27-28-45(38)50-43-25-13-9-21-36(43)37-22-10-14-26-44(37)50/h1,3-5,7-30H,2,6H2
InChIKeyYUXOASKWALDMHH-UHFFFAOYSA-N
XLogP11.74
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
9-[4-[3-[4-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 67950891
9-[3-[8-[4-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381788
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421093
9-[3-carbazol-9-yl-5-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]carbazole
CID 170151461
9-[4-[5-[4-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381386
9-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 89307189
2-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole
CID 122591922
9-[4-carbazol-9-yl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]carbazole
CID 67950911
9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 161244433
9-[2-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-4-carbazol-9-ylphenyl]carbazole
CID 148501537
3-[9-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)-8,9-dihydrodibenzofuran-4-yl]carbazol-3-yl]-9-phenylcarbazole
CID 146335767

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole (CID 155071269) is 9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole is C1=CC(c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3-n3c4ccccc4c4ccccc43)n2)=CCC1.
What is the InChIKey of 9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is YUXOASKWALDMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-3-15-31(16-4-1)39-30-40(32-17-5-2-6-18-32)48-46(47-39)38-29-33(49-41-23-11-7-19-34(41)35-20-8-12-24-42(35)49)27-28-45(38)50-43-25-13-9-21-36(43)37-22-10-14-26-44(37)50/h1,3-5,7-30H,2,6H2.
What are the key properties of 9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole?
9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 640.79 g/mol, XLogP of 11.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 155071269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).