9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole

C48H32N4 — CID 121429747

IUPAC9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-n3c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c(-c4ccccc4)c4ccccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H32N4/c1-4-17-33(18-5-1)41-32-45(50-48(49-41)35-21-8-3-9-22-35)52-44-30-15-12-27-40(44)46(34-19-6-2-7-20-34)47(52)36-23-16-24-37(31-36)51-42-28-13-10-25-38(42)39-26-11-14-29-43(39)51/h1-32H
InChIKeyHJXOMJHQFVMEHJ-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.19
Rot. Bonds6

About 9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole

9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole (PubChem CID 121429747) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole
PubChem CID121429747
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-n3c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c(-c4ccccc4)c4ccccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H32N4/c1-4-17-33(18-5-1)41-32-45(50-48(49-41)35-21-8-3-9-22-35)52-44-30-15-12-27-40(44)46(34-19-6-2-7-20-34)47(52)36-23-16-24-37(31-36)51-42-28-13-10-25-38(42)39-26-11-14-29-43(39)51/h1-32H
InChIKeyHJXOMJHQFVMEHJ-UHFFFAOYSA-N
XLogP12.19
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-carbazol-9-ylphenyl)-14-(2,6-diphenylpyrimidin-4-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 140937279
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
11-(3-phenylphenyl)-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 121385294
5-phenyl-11-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 139496867
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-b]carbazole
CID 158545960
3-[9-(2,6-diphenylpyrimidin-4-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 88866627
9-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
CID 58971549
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159291307
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 164822819
9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;9-[3-[2-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161143543
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401
9-[3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 121258073

Frequently Asked Questions

What is the IUPAC name of 9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole (CID 121429747) is 9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole is c1ccc(-c2cc(-n3c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c(-c4ccccc4)c4ccccc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole?
The InChIKey is HJXOMJHQFVMEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-4-17-33(18-5-1)41-32-45(50-48(49-41)35-21-8-3-9-22-35)52-44-30-15-12-27-40(44)46(34-19-6-2-7-20-34)47(52)36-23-16-24-37(31-36)51-42-28-13-10-25-38(42)39-26-11-14-29-43(39)51/h1-32H.
What are the key properties of 9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole?
9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole has a molecular weight of 664.81 g/mol, XLogP of 12.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole is sourced from PubChem (CID 121429747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).