9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole

C50H33N3 — CID 121258006

IUPAC9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c45)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H33N3/c1-3-14-35(15-4-1)45-33-46(52-50(51-45)38-16-5-2-6-17-38)36-30-28-34(29-31-36)41-24-12-18-37-19-13-25-42(49(37)41)39-20-11-21-40(32-39)53-47-26-9-7-22-43(47)44-23-8-10-27-48(44)53/h1-33H
InChIKeyNHOLYYSHIXXBGF-UHFFFAOYSA-N
MW675.84 g/mol
LogP13.06
Rot. Bonds6

About 9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole

9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole (PubChem CID 121258006) has the molecular formula C50H33N3 and a molecular weight of 675.84 g/mol. Its IUPAC name is 9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
PubChem CID121258006
Molecular FormulaC50H33N3
Molecular Weight675.84 g/mol
Exact Mass675.27
IUPAC Name9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c45)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H33N3/c1-3-14-35(15-4-1)45-33-46(52-50(51-45)38-16-5-2-6-17-38)36-30-28-34(29-31-36)41-24-12-18-37-19-13-25-42(49(37)41)39-20-11-21-40(32-39)53-47-26-9-7-22-43(47)44-23-8-10-27-48(44)53/h1-33H
InChIKeyNHOLYYSHIXXBGF-UHFFFAOYSA-N
XLogP13.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.84
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
CID 58971549
9-[3-[4-[7-(8-phenylnaphthalen-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283316
9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283132
2-(2-phenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135143807
4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549089
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 161259366
3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287137
2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71286952
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 164822819
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157250623

Frequently Asked Questions

What is the IUPAC name of 9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole (CID 121258006) is 9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole is c1ccc(-c2cc(-c3ccc(-c4cccc5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c45)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole?
The InChIKey is NHOLYYSHIXXBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3/c1-3-14-35(15-4-1)45-33-46(52-50(51-45)38-16-5-2-6-17-38)36-30-28-34(29-31-36)41-24-12-18-37-19-13-25-42(49(37)41)39-20-11-21-40(32-39)53-47-26-9-7-22-43(47)44-23-8-10-27-48(44)53/h1-33H.
What are the key properties of 9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole?
9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole has a molecular weight of 675.84 g/mol, XLogP of 13.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole is sourced from PubChem (CID 121258006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).