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

C50H33N3 — CID 58971465

IUPAC9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc5c4)cc3)n2)cc1
InChIInChI=1S/C50H33N3/c1-3-11-36(12-4-1)46-33-47(37-13-5-2-6-14-37)52-50(51-46)38-21-19-34(20-22-38)39-23-25-42-32-40(24-26-41(42)31-39)35-27-29-43(30-28-35)53-48-17-9-7-15-44(48)45-16-8-10-18-49(45)53/h1-33H
InChIKeyILDGASBGXIFCHJ-UHFFFAOYSA-N
MW675.84 g/mol
LogP13.06
Rot. Bonds6

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

9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole (PubChem CID 58971465) has the molecular formula C50H33N3 and a molecular weight of 675.84 g/mol. Its IUPAC name is 9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
PubChem CID58971465
Molecular FormulaC50H33N3
Molecular Weight675.84 g/mol
Exact Mass675.27
IUPAC Name9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc5c4)cc3)n2)cc1
InChIInChI=1S/C50H33N3/c1-3-11-36(12-4-1)46-33-47(37-13-5-2-6-14-37)52-50(51-46)38-21-19-34(20-22-38)39-23-25-42-32-40(24-26-41(42)31-39)35-27-29-43(30-28-35)53-48-17-9-7-15-44(48)45-16-8-10-18-49(45)53/h1-33H
InChIKeyILDGASBGXIFCHJ-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

3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
9-[4-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163590019
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
9-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 130359579
9-[4-[6-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-phenylpyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 122677057
9-[4-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole
CID 58943227
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole
CID 59431404

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole (CID 58971465) is 9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc5c4)cc3)n2)cc1.
What is the InChIKey of 9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole?
The InChIKey is ILDGASBGXIFCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3/c1-3-11-36(12-4-1)46-33-47(37-13-5-2-6-14-37)52-50(51-46)38-21-19-34(20-22-38)39-23-25-42-32-40(24-26-41(42)31-39)35-27-29-43(30-28-35)53-48-17-9-7-15-44(48)45-16-8-10-18-49(45)53/h1-33H.
What are the key properties of 9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole?
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-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-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole is sourced from PubChem (CID 58971465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).