9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole

C60H39N3 — CID 174274251

IUPAC9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C60H39N3/c1-5-15-40(16-6-1)46-29-32-58-53(37-46)54-38-47(41-17-7-2-8-18-41)30-33-59(54)63(58)57-34-31-50(51-23-13-14-24-52(51)57)48-27-25-45-36-49(28-26-44(45)35-48)60-61-55(42-19-9-3-10-20-42)39-56(62-60)43-21-11-4-12-22-43/h1-39H
InChIKeyFHZKPJAIRNKCOO-UHFFFAOYSA-N
MW801.99 g/mol
LogP15.88
Rot. Bonds7

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

9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole (PubChem CID 174274251) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole
PubChem CID174274251
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C60H39N3/c1-5-15-40(16-6-1)46-29-32-58-53(37-46)54-38-47(41-17-7-2-8-18-41)30-33-59(54)63(58)57-34-31-50(51-23-13-14-24-52(51)57)48-27-25-45-36-49(28-26-44(45)35-48)60-61-55(42-19-9-3-10-20-42)39-56(62-60)43-21-11-4-12-22-43/h1-39H
InChIKeyFHZKPJAIRNKCOO-UHFFFAOYSA-N
XLogP15.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole
CID 162150262
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 137414540
10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole
CID 167031903
9-[3-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 155463206
5-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 158002184
5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603713
9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole
CID 58971540
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137420974
3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole
CID 167237211
9-[4-[3-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]carbazole;9-[6-[3-[6-(2,6-diphenyl-4-pyridinyl)naphthalen-2-yl]phenyl]naphthalen-2-yl]carbazole;9-[6-[3-[6-(4,6-diphenyl-2-pyridinyl)naphthalen-2-yl]phenyl]naphthalen-2-yl]carbazole;9-[4-[3-[4-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 159321750
9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole
CID 154603931
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 159261000

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole (CID 174274251) is 9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc4c3)c3ccccc23)cc1.
What is the InChIKey of 9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole?
The InChIKey is FHZKPJAIRNKCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-5-15-40(16-6-1)46-29-32-58-53(37-46)54-38-47(41-17-7-2-8-18-41)30-33-59(54)63(58)57-34-31-50(51-23-13-14-24-52(51)57)48-27-25-45-36-49(28-26-44(45)35-48)60-61-55(42-19-9-3-10-20-42)39-56(62-60)43-21-11-4-12-22-43/h1-39H.
What are the key properties of 9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole?
9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole has a molecular weight of 801.99 g/mol, XLogP of 15.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]naphthalen-1-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 174274251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).