9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole

C54H35N3 — CID 154603932

IUPAC9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C54H35N3/c1-2-14-41(15-3-1)54-55-49(39-29-25-37(26-30-39)43-22-12-16-36-13-4-5-17-42(36)43)35-50(56-54)40-31-27-38(28-32-40)44-33-34-53(46-19-7-6-18-45(44)46)57-51-23-10-8-20-47(51)48-21-9-11-24-52(48)57/h1-35H
InChIKeyCMRGKQKHGADUQI-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.22
Rot. Bonds6

About 9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole

9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole (PubChem CID 154603932) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole
PubChem CID154603932
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C54H35N3/c1-2-14-41(15-3-1)54-55-49(39-29-25-37(26-30-39)43-22-12-16-36-13-4-5-17-42(36)43)35-50(56-54)40-31-27-38(28-32-40)44-33-34-53(46-19-7-6-18-45(44)46)57-51-23-10-8-20-47(51)48-21-9-11-24-52(48)57/h1-35H
InChIKeyCMRGKQKHGADUQI-UHFFFAOYSA-N
XLogP14.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole
CID 58971540
9-[4-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]naphthalen-1-yl]carbazole
CID 154603931
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
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287046
9-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
CID 58971549
9-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 121258076
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603713
9-[2-naphthalen-1-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658673
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
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole?
The IUPAC name of 9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole (CID 154603932) is 9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole.
What is the SMILES notation for 9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole?
The canonical SMILES for 9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole is c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)cc3)n2)cc1.
What is the InChIKey of 9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole?
The InChIKey is CMRGKQKHGADUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-2-14-41(15-3-1)54-55-49(39-29-25-37(26-30-39)43-22-12-16-36-13-4-5-17-42(36)43)35-50(56-54)40-31-27-38(28-32-40)44-33-34-53(46-19-7-6-18-45(44)46)57-51-23-10-8-20-47(51)48-21-9-11-24-52(48)57/h1-35H.
What are the key properties of 9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole?
9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole is sourced from PubChem (CID 154603932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).