9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole

C62H41N3 — CID 154603931

IUPAC9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C62H41N3/c1-5-19-42(20-6-1)47-37-48(43-21-7-2-8-22-43)39-49(38-47)57-41-58(64-62(63-57)45-25-11-4-12-26-45)52-34-33-46(40-56(52)44-23-9-3-10-24-44)50-35-36-61(53-28-14-13-27-51(50)53)65-59-31-17-15-29-54(59)55-30-16-18-32-60(55)65/h1-41H
InChIKeyVRISFTMSVKANHJ-UHFFFAOYSA-N
MW828.03 g/mol
LogP16.40
Rot. Bonds8

About 9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole

9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole (PubChem CID 154603931) has the molecular formula C62H41N3 and a molecular weight of 828.03 g/mol. Its IUPAC name is 9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole
PubChem CID154603931
Molecular FormulaC62H41N3
Molecular Weight828.03 g/mol
Exact Mass827.33
IUPAC Name9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C62H41N3/c1-5-19-42(20-6-1)47-37-48(43-21-7-2-8-22-43)39-49(38-47)57-41-58(64-62(63-57)45-25-11-4-12-26-45)52-34-33-46(40-56(52)44-23-9-3-10-24-44)50-35-36-61(53-28-14-13-27-51(50)53)65-59-31-17-15-29-54(59)55-30-16-18-32-60(55)65/h1-41H
InChIKeyVRISFTMSVKANHJ-UHFFFAOYSA-N
XLogP16.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.03
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole
CID 154603932
9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole
CID 58971540
9-[5-[4-[3-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303416
9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole
CID 174274251
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303447
9-[2-[4-[4-carbazol-9-yl-6-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303815
9-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
CID 58971549
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237400
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole?
The IUPAC name of 9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole (CID 154603931) is 9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole.
What is the SMILES notation for 9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole?
The canonical SMILES for 9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole?
The InChIKey is VRISFTMSVKANHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N3/c1-5-19-42(20-6-1)47-37-48(43-21-7-2-8-22-43)39-49(38-47)57-41-58(64-62(63-57)45-25-11-4-12-26-45)52-34-33-46(40-56(52)44-23-9-3-10-24-44)50-35-36-61(53-28-14-13-27-51(50)53)65-59-31-17-15-29-54(59)55-30-16-18-32-60(55)65/h1-41H.
What are the key properties of 9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole?
9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole has a molecular weight of 828.03 g/mol, XLogP of 16.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole is sourced from PubChem (CID 154603931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).